# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e9926af0-5c82-4fd5-a335-1600aeeb3d65/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 TbRbS2 / R-3m (166) / materials id 9365](https://mdr.nims.go.jp/datasets/83e4d2f6-f315-4574-b116-17ce7305217b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:19:03]-------------------------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 2.020165010651060 1.166342812706850 7.588425726666658 b -2.020165010651056 1.166342812706850 7.588425726666658 c 0.000000000000003 -2.332685625413704 7.588425726666658Atomic positions (fractional): *1 S 0.23103592834094 0.23103592834094 0.23103592834094 32.065 2 S 0.76896407165906 0.76896407165906 0.76896407165906 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.040330021302116 0.000000000000000 0.000000000000000 b -2.020165010651059 3.499028438120555 0.000000000000000 c 0.000000000000000 0.000000000000000 22.765277179999998Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.23103592834094 32.065 > 1 2 S 0.66666666666667 0.33333333333333 0.10229740499239 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.56436926167427 32.065 > 1 4 S 0.33333333333333 0.66666666666667 0.43563073832573 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.89770259500760 32.065 > 1 6 S 0.00000000000000 0.00000000000000 0.76896407165906 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Tb 0.33333333333333 0.66666666666667 0.16666666666667 158.925 > 4 11 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 4 12 Tb 0.66666666666667 0.33333333333333 0.83333333333333 158.925 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.120990063906348 0.000000000000000 0.000000000000000 b -6.060495031953177 10.497085314361666 0.000000000000000 c 0.000000000000000 0.000000000000000 22.765277179999998Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.23103592834094 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23103592834094 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23103592834094 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23103592834094 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23103592834094 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23103592834094 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23103592834094 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23103592834094 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23103592834094 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10229740499239 32.065 > 2 11 S 0.55555555555556 0.11111111111111 0.10229740499239 32.065 > 2 12 S 0.88888888888889 0.11111111111111 0.10229740499239 32.065 > 2 13 S 0.22222222222222 0.44444444444444 0.10229740499239 32.065 > 2 14 S 0.55555555555556 0.44444444444444 0.10229740499239 32.065 > 2 15 S 0.88888888888889 0.44444444444444 0.10229740499239 32.065 > 2 16 S 0.22222222222222 0.77777777777778 0.10229740499239 32.065 > 2 17 S 0.55555555555556 0.77777777777778 0.10229740499239 32.065 > 2 18 S 0.88888888888889 0.77777777777778 0.10229740499239 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.56436926167427 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56436926167427 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56436926167427 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56436926167427 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56436926167427 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56436926167427 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56436926167427 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56436926167427 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56436926167427 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43563073832573 32.065 > 2 29 S 0.44444444444444 0.22222222222222 0.43563073832573 32.065 > 2 30 S 0.77777777777778 0.22222222222222 0.43563073832573 32.065 > 2 31 S 0.11111111111111 0.55555555555556 0.43563073832573 32.065 > 2 32 S 0.44444444444444 0.55555555555556 0.43563073832573 32.065 > 2 33 S 0.77777777777778 0.55555555555556 0.43563073832573 32.065 > 2 34 S 0.11111111111111 0.88888888888889 0.43563073832573 32.065 > 2 35 S 0.44444444444444 0.88888888888889 0.43563073832573 32.065 > 2 36 S 0.77777777777778 0.88888888888889 0.43563073832573 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.89770259500760 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89770259500760 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89770259500760 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89770259500760 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89770259500760 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89770259500760 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89770259500760 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89770259500760 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89770259500760 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76896407165906 32.065 > 2 47 S 0.33333333333333 0.00000000000000 0.76896407165906 32.065 > 2 48 S 0.66666666666667 0.00000000000000 0.76896407165906 32.065 > 2 49 S 0.00000000000000 0.33333333333333 0.76896407165906 32.065 > 2 50 S 0.33333333333333 0.33333333333333 0.76896407165906 32.065 > 2 51 S 0.66666666666667 0.33333333333333 0.76896407165906 32.065 > 2 52 S 0.00000000000000 0.66666666666667 0.76896407165906 32.065 > 2 53 S 0.33333333333333 0.66666666666667 0.76896407165906 32.065 > 2 54 S 0.66666666666667 0.66666666666667 0.76896407165906 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Tb 0.11111111111111 0.22222222222222 0.16666666666667 158.925 > 4 83 Tb 0.44444444444444 0.22222222222222 0.16666666666667 158.925 > 4 84 Tb 0.77777777777778 0.22222222222222 0.16666666666667 158.925 > 4 85 Tb 0.11111111111111 0.55555555555556 0.16666666666667 158.925 > 4 86 Tb 0.44444444444444 0.55555555555556 0.16666666666667 158.925 > 4 87 Tb 0.77777777777778 0.55555555555556 0.16666666666667 158.925 > 4 88 Tb 0.11111111111111 0.88888888888889 0.16666666666667 158.925 > 4 89 Tb 0.44444444444444 0.88888888888889 0.16666666666667 158.925 > 4 90 Tb 0.77777777777778 0.88888888888889 0.16666666666667 158.925 > 4 91 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 4 92 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 4 93 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 4 94 Tb 0.00000000000000 0.33333333333333 0.50000000000000 158.925 > 4 95 Tb 0.33333333333333 0.33333333333333 0.50000000000000 158.925 > 4 96 Tb 0.66666666666667 0.33333333333333 0.50000000000000 158.925 > 4 97 Tb 0.00000000000000 0.66666666666667 0.50000000000000 158.925 > 4 98 Tb 0.33333333333333 0.66666666666667 0.50000000000000 158.925 > 4 99 Tb 0.66666666666667 0.66666666666667 0.50000000000000 158.925 > 4 100 Tb 0.22222222222222 0.11111111111111 0.83333333333333 158.925 > 4 101 Tb 0.55555555555556 0.11111111111111 0.83333333333333 158.925 > 4 102 Tb 0.88888888888889 0.11111111111111 0.83333333333333 158.925 > 4 103 Tb 0.22222222222222 0.44444444444444 0.83333333333333 158.925 > 4 104 Tb 0.55555555555556 0.44444444444444 0.83333333333333 158.925 > 4 105 Tb 0.88888888888889 0.44444444444444 0.83333333333333 158.925 > 4 106 Tb 0.22222222222222 0.77777777777778 0.83333333333333 158.925 > 4 107 Tb 0.55555555555556 0.77777777777778 0.83333333333333 158.925 > 4 108 Tb 0.88888888888889 0.77777777777778 0.83333333333333 158.925 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6221938 -0.0000000 0.0000000 0.0000000 5.6221938 0.0000000 0.0000000 0.0000000 4.3194639-------------------------- Born effective charges -------------------------- 1 S -2.7675775 0.0000000 0.0000000 0.0000000 -2.7675775 0.0000000 0.0000000 0.0000000 -1.8968405 2 S -2.7675775 0.0000000 0.0000000 0.0000000 -2.7675775 0.0000000 0.0000000 0.0000000 -1.8968405 3 Rb 1.0527222 -0.0000000 0.0000000 0.0000000 1.0527222 0.0000000 0.0000000 0.0000000 1.9073721 4 Tb 4.4824328 -0.0000000 0.0000000 0.0000000 4.4824328 0.0000000 0.0000000 0.0000000 1.8863089----------------------------------------------------------------------------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: 0.126Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.133--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:19:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:19:08]-------------------------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 2.020165010651060 1.166342812706850 7.588425726666658 b -2.020165010651056 1.166342812706850 7.588425726666658 c 0.000000000000003 -2.332685625413704 7.588425726666658Atomic positions (fractional): 1 S 0.23103592834094 0.23103592834094 0.23103592834094 32.065 2 S 0.76896407165906 0.76896407165906 0.76896407165906 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925-------------------------------- supercell ---------------------------------Lattice vectors: a 12.120990063906348 0.000000000000000 0.000000000000000 b -6.060495031953177 10.497085314361666 0.000000000000000 c 0.000000000000000 0.000000000000000 22.765277179999998Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.23103592834094 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23103592834094 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23103592834094 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23103592834094 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23103592834094 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23103592834094 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23103592834094 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23103592834094 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23103592834094 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10229740499239 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10229740499239 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10229740499239 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10229740499239 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10229740499239 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10229740499239 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10229740499239 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10229740499239 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10229740499239 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56436926167427 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56436926167427 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56436926167427 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56436926167427 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56436926167427 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56436926167427 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56436926167427 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56436926167427 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56436926167427 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43563073832573 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43563073832573 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43563073832573 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43563073832573 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43563073832573 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43563073832573 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43563073832573 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43563073832573 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43563073832573 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89770259500760 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89770259500760 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89770259500760 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89770259500760 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89770259500760 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89770259500760 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89770259500760 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89770259500760 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89770259500760 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76896407165906 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.76896407165906 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.76896407165906 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.76896407165906 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.76896407165906 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.76896407165906 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.76896407165906 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.76896407165906 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.76896407165906 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Tb 0.11111111111111 0.22222222222222 0.16666666666667 158.925 > 82 83 Tb 0.44444444444444 0.22222222222222 0.16666666666667 158.925 > 82 84 Tb 0.77777777777778 0.22222222222222 0.16666666666667 158.925 > 82 85 Tb 0.11111111111111 0.55555555555556 0.16666666666667 158.925 > 82 86 Tb 0.44444444444444 0.55555555555556 0.16666666666667 158.925 > 82 87 Tb 0.77777777777778 0.55555555555556 0.16666666666667 158.925 > 82 88 Tb 0.11111111111111 0.88888888888889 0.16666666666667 158.925 > 82 89 Tb 0.44444444444444 0.88888888888889 0.16666666666667 158.925 > 82 90 Tb 0.77777777777778 0.88888888888889 0.16666666666667 158.925 > 82 91 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 82 92 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 82 93 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 82 94 Tb 0.00000000000000 0.33333333333333 0.50000000000000 158.925 > 82 95 Tb 0.33333333333333 0.33333333333333 0.50000000000000 158.925 > 82 96 Tb 0.66666666666667 0.33333333333333 0.50000000000000 158.925 > 82 97 Tb 0.00000000000000 0.66666666666667 0.50000000000000 158.925 > 82 98 Tb 0.33333333333333 0.66666666666667 0.50000000000000 158.925 > 82 99 Tb 0.66666666666667 0.66666666666667 0.50000000000000 158.925 > 82 100 Tb 0.22222222222222 0.11111111111111 0.83333333333333 158.925 > 82 101 Tb 0.55555555555556 0.11111111111111 0.83333333333333 158.925 > 82 102 Tb 0.88888888888889 0.11111111111111 0.83333333333333 158.925 > 82 103 Tb 0.22222222222222 0.44444444444444 0.83333333333333 158.925 > 82 104 Tb 0.55555555555556 0.44444444444444 0.83333333333333 158.925 > 82 105 Tb 0.88888888888889 0.44444444444444 0.83333333333333 158.925 > 82 106 Tb 0.22222222222222 0.77777777777778 0.83333333333333 158.925 > 82 107 Tb 0.55555555555556 0.77777777777778 0.83333333333333 158.925 > 82 108 Tb 0.88888888888889 0.77777777777778 0.83333333333333 158.925 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6221938 -0.0000000 0.0000000 0.0000000 5.6221938 0.0000000 0.0000000 0.0000000 4.3194639-------------------------- Born effective charges -------------------------- 1 S -2.7675775 0.0000000 0.0000000 0.0000000 -2.7675775 0.0000000 0.0000000 0.0000000 -1.8968405 2 S -2.7675775 0.0000000 0.0000000 0.0000000 -2.7675775 0.0000000 0.0000000 0.0000000 -1.8968405 3 Rb 1.0527222 -0.0000000 0.0000000 0.0000000 1.0527222 0.0000000 0.0000000 0.0000000 1.9073721 4 Tb 4.4824328 -0.0000000 0.0000000 0.0000000 4.4824328 0.0000000 0.0000000 0.0000000 1.8863089----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:19:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:19:12]-------------------------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 2.020165010651060 1.166342812706850 7.588425726666658 b -2.020165010651056 1.166342812706850 7.588425726666658 c 0.000000000000003 -2.332685625413704 7.588425726666658Atomic positions (fractional): 1 S 0.23103592834094 0.23103592834094 0.23103592834094 32.065 2 S 0.76896407165906 0.76896407165906 0.76896407165906 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925-------------------------------- supercell ---------------------------------Lattice vectors: a 12.120990063906348 0.000000000000000 0.000000000000000 b -6.060495031953177 10.497085314361666 0.000000000000000 c 0.000000000000000 0.000000000000000 22.765277179999998Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.23103592834094 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23103592834094 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23103592834094 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23103592834094 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23103592834094 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23103592834094 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23103592834094 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23103592834094 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23103592834094 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10229740499239 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10229740499239 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10229740499239 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10229740499239 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10229740499239 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10229740499239 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10229740499239 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10229740499239 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10229740499239 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56436926167427 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56436926167427 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56436926167427 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56436926167427 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56436926167427 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56436926167427 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56436926167427 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56436926167427 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56436926167427 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43563073832573 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43563073832573 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43563073832573 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43563073832573 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43563073832573 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43563073832573 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43563073832573 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43563073832573 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43563073832573 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89770259500760 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89770259500760 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89770259500760 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89770259500760 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89770259500760 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89770259500760 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89770259500760 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89770259500760 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89770259500760 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76896407165906 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.76896407165906 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.76896407165906 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.76896407165906 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.76896407165906 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.76896407165906 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.76896407165906 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.76896407165906 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.76896407165906 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Tb 0.11111111111111 0.22222222222222 0.16666666666667 158.925 > 82 83 Tb 0.44444444444444 0.22222222222222 0.16666666666667 158.925 > 82 84 Tb 0.77777777777778 0.22222222222222 0.16666666666667 158.925 > 82 85 Tb 0.11111111111111 0.55555555555556 0.16666666666667 158.925 > 82 86 Tb 0.44444444444444 0.55555555555556 0.16666666666667 158.925 > 82 87 Tb 0.77777777777778 0.55555555555556 0.16666666666667 158.925 > 82 88 Tb 0.11111111111111 0.88888888888889 0.16666666666667 158.925 > 82 89 Tb 0.44444444444444 0.88888888888889 0.16666666666667 158.925 > 82 90 Tb 0.77777777777778 0.88888888888889 0.16666666666667 158.925 > 82 91 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 82 92 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 82 93 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 82 94 Tb 0.00000000000000 0.33333333333333 0.50000000000000 158.925 > 82 95 Tb 0.33333333333333 0.33333333333333 0.50000000000000 158.925 > 82 96 Tb 0.66666666666667 0.33333333333333 0.50000000000000 158.925 > 82 97 Tb 0.00000000000000 0.66666666666667 0.50000000000000 158.925 > 82 98 Tb 0.33333333333333 0.66666666666667 0.50000000000000 158.925 > 82 99 Tb 0.66666666666667 0.66666666666667 0.50000000000000 158.925 > 82 100 Tb 0.22222222222222 0.11111111111111 0.83333333333333 158.925 > 82 101 Tb 0.55555555555556 0.11111111111111 0.83333333333333 158.925 > 82 102 Tb 0.88888888888889 0.11111111111111 0.83333333333333 158.925 > 82 103 Tb 0.22222222222222 0.44444444444444 0.83333333333333 158.925 > 82 104 Tb 0.55555555555556 0.44444444444444 0.83333333333333 158.925 > 82 105 Tb 0.88888888888889 0.44444444444444 0.83333333333333 158.925 > 82 106 Tb 0.22222222222222 0.77777777777778 0.83333333333333 158.925 > 82 107 Tb 0.55555555555556 0.77777777777778 0.83333333333333 158.925 > 82 108 Tb 0.88888888888889 0.77777777777778 0.83333333333333 158.925 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6221938 -0.0000000 0.0000000 0.0000000 5.6221938 0.0000000 0.0000000 0.0000000 4.3194639-------------------------- Born effective charges -------------------------- 1 S -2.7675775 0.0000000 0.0000000 0.0000000 -2.7675775 0.0000000 0.0000000 0.0000000 -1.8968405 2 S -2.7675775 0.0000000 0.0000000 0.0000000 -2.7675775 0.0000000 0.0000000 0.0000000 -1.8968405 3 Rb 1.0527222 -0.0000000 0.0000000 0.0000000 1.0527222 0.0000000 0.0000000 0.0000000 1.9073721 4 Tb 4.4824328 -0.0000000 0.0000000 0.0000000 4.4824328 0.0000000 0.0000000 0.0000000 1.8863089----------------------------------------------------------------------------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 ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.87, Number of G-points: 301, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( 19.019 10.981 -4.959) 22.514 0.461 ( 19.960 11.524 -4.025) 23.397 0.911 ( 36.166 20.881 13.476) 43.882 2.151 ( 0.543 0.313 0.662) 0.912 2.198 ( 4.741 2.737 -2.189) 5.895 3.579 ( -2.522 -1.456 0.865) 3.038 5.158 ( 2.563 1.480 0.502) 3.002 6.356 ( -2.720 -1.570 0.233) 3.149 6.366 ( -1.684 -0.972 -0.206) 1.955 6.945 ( 3.589 2.072 -15.760) 16.296 7.974 ( -6.622 -3.823 1.721) 7.838 8.461 ( -0.205 -0.118 -1.503) 1.522======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.863 ( 18.782 10.844 -4.949) 22.245 0.911 ( 19.407 11.204 -5.891) 23.170 1.765 ( 31.964 18.454 12.372) 38.927 2.173 ( 1.049 0.606 1.376) 1.833 2.343 ( 8.488 4.900 -5.119) 11.057 3.499 ( -4.176 -2.411 0.098) 4.823 5.249 ( 4.986 2.878 0.821) 5.815 6.263 ( -4.958 -2.862 0.052) 5.725 6.314 ( -2.469 -1.426 -0.364) 2.875 6.994 ( 3.150 1.819 -5.492) 6.587 7.785 ( -9.583 -5.533 2.619) 11.371 8.418 ( -2.758 -1.593 -4.477) 5.495======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 17.344 10.013 -5.076) 20.660 1.330 ( 17.842 10.301 -8.062) 22.123 2.209 ( 1.573 0.908 2.193) 2.847 2.363 ( 12.228 7.060 6.071) 15.369 2.650 ( 21.688 12.521 -4.643) 25.469 3.400 ( -4.116 -2.377 3.887) 6.140 5.392 ( 6.697 3.866 0.886) 7.783 6.140 ( -5.003 -2.888 -0.497) 5.798 6.259 ( -1.864 -1.076 -0.441) 2.197 7.042 ( 1.246 0.719 -0.370) 1.486 7.550 ( -10.849 -6.264 2.352) 12.746 8.311 ( -4.413 -2.548 -6.617) 8.352======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 13.924 8.039 -5.246) 16.912 1.694 ( 15.336 8.854 -9.568) 20.128 2.263 ( 2.344 1.353 3.009) 4.047 2.545 ( 5.312 3.067 -0.496) 6.154 3.043 ( 5.879 3.394 -3.630) 7.698 3.433 ( 8.723 5.036 9.942) 14.152 5.557 ( 6.714 3.876 0.732) 7.787 6.048 ( -2.060 -1.190 -1.173) 2.653 6.234 ( 0.004 0.002 -0.404) 0.404 7.031 ( -2.761 -1.594 2.489) 4.045 7.290 ( -11.384 -6.573 -0.103) 13.146 8.198 ( -2.847 -1.644 -6.105) 6.934======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 8.557 4.940 -4.635) 10.914 1.992 ( 12.456 7.191 -9.464) 17.217 2.340 ( 3.352 1.935 3.069) 4.940 2.645 ( 3.427 1.978 -1.295) 4.163 3.001 ( -5.503 -3.177 4.304) 7.675 3.734 ( 10.957 6.326 3.927) 13.248 5.696 ( 4.700 2.714 0.440) 5.445 6.049 ( 2.538 1.465 -1.741) 3.409 6.258 ( 2.038 1.177 -0.246) 2.367 6.906 ( -9.792 -5.654 5.153) 12.426 7.047 ( -6.979 -4.029 -4.818) 9.389 8.151 ( -0.085 -0.049 -3.199) 3.201======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( 3.481 2.010 -2.530) 4.750 2.221 ( 8.987 5.189 -7.109) 12.578 2.426 ( 2.801 1.617 1.713) 3.660 2.687 ( -0.118 -0.068 -0.916) 0.926 2.889 ( -4.313 -2.490 6.231) 7.977 3.926 ( 4.820 2.783 0.841) 5.629 5.777 ( 2.123 1.226 0.167) 2.457 6.151 ( 6.294 3.634 -1.909) 7.514 6.312 ( 2.128 1.229 -0.082) 2.459 6.642 ( -11.837 -6.834 2.279) 13.857 6.934 ( -2.562 -1.479 -2.387) 3.801 8.157 ( 0.781 0.451 -0.935) 1.299======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -0.000 -0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.526 ( -0.000 21.269 14.033) 25.481 0.546 ( -0.000 23.499 10.190) 25.613 0.861 ( -0.000 39.894 5.293) 40.243 2.135 ( 0.000 0.018 -2.687) 2.687 2.208 ( 0.000 6.146 -0.145) 6.147 3.580 ( -0.000 -3.990 1.029) 4.121 5.153 ( 0.000 2.760 -0.505) 2.806 6.353 ( 0.000 -3.220 -0.420) 3.247 6.368 ( -0.000 -1.852 0.260) 1.870 6.866 ( 0.000 10.331 -30.052) 31.778 7.980 ( -0.000 -7.740 2.703) 8.199 8.468 ( 0.000 0.098 -0.202) 0.225======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( 3.243 18.839 10.498) 21.809 0.941 ( 7.266 25.303 -1.488) 26.368 1.530 ( 24.008 29.294 10.846) 39.398 2.149 ( 2.287 0.190 -2.526) 3.413 2.301 ( 2.457 8.485 -2.079) 9.075 3.516 ( -1.926 -4.484 -1.479) 5.100 5.215 ( 3.039 4.068 0.038) 5.078 6.293 ( -2.349 -4.554 -0.319) 5.134 6.331 ( -1.532 -2.078 0.097) 2.584 6.922 ( 4.115 4.583 -14.516) 15.768 7.852 ( -5.136 -9.271 3.477) 11.154 8.440 ( -2.454 -0.885 -2.596) 3.681======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 11.997 14.259 3.465) 18.954 1.310 ( 7.934 22.479 -5.031) 24.363 2.185 ( 7.043 5.120 1.016) 8.766 2.229 ( 13.999 11.194 7.737) 19.523 2.486 ( 10.393 15.083 -5.411) 19.099 3.425 ( -2.178 -4.788 0.283) 5.268 5.339 ( 5.129 5.495 0.603) 7.541 6.183 ( -4.113 -4.616 -0.500) 6.203 6.283 ( -1.838 -1.074 -0.173) 2.136 6.995 ( 3.885 1.357 -5.966) 7.248 7.649 ( -7.959 -9.374 3.700) 12.841 8.344 ( -4.731 -2.546 -5.226) 7.495======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 13.660 10.613 -1.175) 17.338 1.642 ( 7.933 18.312 -6.669) 21.042 2.264 ( 2.136 3.619 0.860) 4.290 2.474 ( 5.852 3.245 -0.055) 6.692 2.934 ( 13.476 14.213 -3.307) 19.863 3.389 ( 3.088 -0.766 7.239) 7.907 5.503 ( 5.890 6.573 0.861) 8.868 6.071 ( -3.175 -3.077 -0.999) 4.533 6.252 ( -1.277 0.882 -0.391) 1.601 7.032 ( 1.279 -1.283 -1.828) 2.574 7.407 ( -9.978 -9.099 2.829) 13.797 8.211 ( -4.125 -3.083 -6.156) 8.026======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 11.761 7.267 -3.599) 14.285 1.916 ( 6.842 13.923 -7.319) 17.153 2.349 ( 1.682 5.522 2.197) 6.176 2.586 ( 4.632 1.653 -1.437) 5.124 3.058 ( -2.162 -0.706 0.385) 2.307 3.623 ( 11.531 7.875 6.055) 15.220 5.670 ( 4.475 6.818 0.835) 8.198 6.022 ( 0.428 -0.509 -1.575) 1.709 6.259 ( 0.138 2.712 -0.456) 2.754 6.996 ( -2.796 -2.669 0.677) 3.925 7.130 ( -11.175 -8.562 -0.552) 14.089 8.124 ( -0.334 -2.532 -4.092) 4.823======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 6.907 4.767 -3.256) 9.002 2.127 ( 6.455 9.472 -7.126) 13.497 2.443 ( 0.982 6.178 2.400) 6.700 2.661 ( 2.763 0.519 -1.332) 3.110 2.974 ( -5.279 -2.017 4.540) 7.249 3.866 ( 6.674 4.490 2.280) 8.361 5.793 ( 1.357 6.483 0.559) 6.647 6.069 ( 4.703 1.508 -1.929) 5.302 6.303 ( 1.296 3.237 -0.309) 3.501 6.808 ( -13.139 -6.257 2.544) 14.773 6.945 ( -2.011 -2.840 -3.349) 4.829 8.114 ( 2.332 -2.293 -1.471) 3.586======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 1.448 3.027 -1.548) 3.696 2.294 ( 5.295 5.051 -4.731) 8.715 2.503 ( -1.357 4.003 1.759) 4.578 2.675 ( -0.706 0.054 -0.587) 0.919 2.891 ( -3.839 0.243 2.501) 4.588 3.972 ( 1.954 1.014 1.272) 2.542 5.853 ( -1.802 5.863 0.218) 6.138 6.184 ( 6.389 0.246 -1.411) 6.547 6.361 ( 1.532 3.689 -0.285) 4.005 6.542 ( -10.444 -3.620 1.051) 11.104 6.899 ( -0.491 -0.669 -0.793) 1.148 8.130 ( 2.373 -2.741 -0.229) 3.633======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( -2.249 0.698 0.577) 2.425 2.330 ( -4.103 -0.982 2.751) 5.036 2.491 ( -3.416 2.271 -0.614) 4.148 2.677 ( 0.714 1.235 -0.174) 1.437 2.860 ( -0.708 2.513 -3.936) 4.723 3.972 ( -2.415 -1.280 1.169) 2.973 5.852 ( -4.274 4.343 -0.060) 6.094 6.196 ( -2.564 -5.146 1.119) 5.858 6.363 ( -4.151 0.615 0.235) 4.203 6.530 ( 7.793 7.149 -1.471) 10.678 6.909 ( 1.675 0.410 1.175) 2.087 8.134 ( 1.494 -3.271 0.446) 3.624======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( -6.444 -3.631 3.281) 8.092 2.194 ( -10.249 -1.569 6.837) 12.419 2.420 ( -6.187 2.017 -2.376) 6.928 2.671 ( -1.664 -2.303 1.025) 3.020 2.921 ( 5.033 4.770 -6.672) 9.623 3.853 ( -8.789 -3.769 -0.462) 9.575 5.789 ( -6.358 1.813 -0.333) 6.620 6.087 ( -3.667 -3.340 1.826) 5.285 6.306 ( -3.484 0.719 0.284) 3.568 6.777 ( 10.533 7.743 -3.907) 13.645 6.978 ( 4.945 0.819 3.496) 6.112 8.130 ( 1.650 -2.837 1.922) 3.804======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -11.720 -7.992 5.265) 15.131 1.987 ( -14.937 -0.108 7.479) 16.706 2.323 ( -5.552 1.903 -3.180) 6.675 2.594 ( -3.745 -3.398 0.462) 5.077 3.050 ( 4.963 3.443 -1.396) 6.200 3.571 ( -15.765 -6.592 -4.806) 17.751 5.663 ( -8.176 -0.656 -0.590) 8.224 6.036 ( 0.000 -0.724 1.447) 1.618 6.263 ( -2.450 1.361 0.387) 2.829 6.969 ( 5.377 3.353 -4.663) 7.868 7.147 ( 10.732 3.141 2.695) 11.502 8.164 ( 3.598 -0.831 4.218) 5.606======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( -16.210 -9.604 4.846) 19.455 1.708 ( -19.589 0.906 6.974) 20.813 2.248 ( -3.898 1.256 -2.504) 4.800 2.465 ( -7.227 -4.176 -1.634) 8.505 2.977 ( -21.559 -4.987 5.352) 22.766 3.315 ( 3.008 -0.908 -8.317) 8.890 5.496 ( -8.646 -1.789 -0.693) 8.856 6.080 ( 4.013 1.100 0.755) 4.229 6.256 ( -0.157 1.490 0.362) 1.542 7.030 ( 1.493 0.009 -2.231) 2.684 7.391 ( 11.936 3.374 -0.472) 12.412 8.264 ( 5.408 1.170 4.987) 7.449======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( -18.857 -8.136 3.044) 20.761 1.361 ( -23.352 1.973 5.356) 24.040 2.138 ( -24.596 -6.607 -5.479) 26.051 2.198 ( -3.516 -0.102 -1.808) 3.955 2.529 ( -17.182 -3.224 3.371) 17.804 3.417 ( 6.649 0.851 -1.310) 6.830 5.333 ( -7.319 -1.376 -0.521) 7.466 6.186 ( 5.895 1.256 0.154) 6.029 6.285 ( 1.841 0.854 0.223) 2.042 7.024 ( -0.960 -0.747 0.033) 1.217 7.627 ( 11.637 2.189 -0.986) 11.882 8.384 ( 4.576 1.175 3.044) 5.621======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -19.539 -0.000 0.000) 19.539 0.951 ( -25.730 -0.000 0.000) 25.730 1.476 ( -39.083 -0.000 0.000) 39.083 2.161 ( -1.263 -0.000 0.000) 1.263 2.311 ( -8.767 -0.000 0.000) 8.767 3.523 ( 4.664 0.000 -0.000) 4.664 5.215 ( -5.016 -0.000 0.000) 5.016 6.294 ( 5.093 0.000 -0.000) 5.093 6.331 ( 2.555 0.000 -0.000) 2.555 6.994 ( -1.778 -0.000 0.000) 1.778 7.834 ( 10.373 0.000 -0.000) 10.373 8.453 ( 1.875 0.000 -0.000) 1.875======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -0.000 20.642 12.444) 24.102 1.081 ( -0.000 23.035 8.413) 24.523 1.674 ( -0.000 35.582 5.253) 35.967 2.111 ( 0.000 0.055 -5.111) 5.112 2.382 ( 0.000 11.225 -1.213) 11.291 3.469 ( 0.000 -6.220 -2.904) 6.864 5.234 ( 0.000 5.626 -0.645) 5.663 6.258 ( 0.000 -5.458 -0.535) 5.484 6.321 ( -0.000 -2.769 0.351) 2.791 6.889 ( 0.000 5.241 -14.606) 15.518 7.800 ( -0.000 -11.354 3.498) 11.881 8.449 ( 0.000 -1.507 -1.496) 2.123======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( -3.167 20.887 12.303) 24.447 1.421 ( 5.224 21.595 0.808) 22.232 2.125 ( 5.252 6.363 -4.236) 9.275 2.158 ( 10.709 16.853 6.120) 20.884 2.530 ( 3.099 17.331 -3.442) 17.939 3.385 ( -0.531 -6.972 -1.975) 7.266 5.327 ( 3.257 6.912 -0.087) 7.641 6.183 ( -1.918 -5.440 -0.456) 5.786 6.289 ( -0.506 -1.957 0.188) 2.030 6.920 ( 3.020 2.057 -9.693) 10.359 7.657 ( -3.769 -11.604 3.525) 12.700 8.387 ( -3.910 -2.584 -2.658) 5.388======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 2.241 17.787 7.814) 19.557 1.708 ( 4.724 18.679 -3.595) 19.600 2.227 ( 5.913 3.258 -3.489) 7.599 2.432 ( 3.877 5.673 2.120) 7.191 2.882 ( 10.583 20.607 -4.291) 23.560 3.333 ( 2.706 -3.687 4.239) 6.236 5.483 ( 5.251 8.159 0.789) 9.734 6.086 ( -2.856 -3.998 -0.797) 4.978 6.274 ( -0.163 0.361 -0.236) 0.461 6.959 ( 3.376 -1.543 -5.736) 6.832 7.462 ( -6.419 -10.895 3.539) 13.132 8.253 ( -5.992 -3.325 -4.141) 8.006======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( 5.082 12.999 2.622) 14.202 1.950 ( 4.434 15.075 -4.891) 16.457 2.368 ( 4.740 6.410 -0.575) 7.993 2.527 ( 3.016 2.530 -0.343) 3.952 3.065 ( 0.846 0.687 -3.200) 3.380 3.530 ( 10.908 9.824 6.212) 15.940 5.670 ( 5.180 8.795 1.448) 10.309 6.014 ( -1.255 -1.504 -1.404) 2.410 6.290 ( 0.106 3.090 -0.826) 3.200 6.961 ( 1.662 -3.899 -4.164) 5.942 7.231 ( -9.097 -9.458 3.233) 13.515 8.112 ( -3.784 -3.466 -3.897) 6.443======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 5.748 9.387 -0.151) 11.008 2.132 ( 3.141 10.649 -5.175) 12.249 2.505 ( 1.837 7.756 1.657) 8.141 2.603 ( 3.591 0.889 -0.435) 3.725 3.039 ( -2.003 -0.814 1.412) 2.582 3.800 ( 7.437 6.305 2.191) 9.993 5.837 ( 3.026 8.225 1.604) 8.909 6.014 ( 2.156 1.159 -1.876) 3.084 6.330 ( 0.194 4.327 -1.227) 4.502 6.915 ( -1.025 -5.062 -5.058) 7.229 6.977 ( -10.417 -5.512 3.840) 12.395 8.041 ( 0.867 -3.778 -1.934) 4.332======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 2.920 6.971 -0.838) 7.604 2.259 ( 3.374 6.757 -4.503) 8.793 2.578 ( -1.341 3.358 2.591) 4.449 2.660 ( 2.173 0.319 -0.154) 2.201 3.005 ( -4.509 4.654 1.439) 6.638 3.936 ( 3.699 1.046 0.999) 3.972 5.950 ( 0.063 7.462 1.041) 7.535 6.089 ( 4.426 1.726 -1.591) 5.010 6.371 ( 0.725 3.118 -1.192) 3.416 6.702 ( -10.840 -3.712 -0.001) 11.458 6.901 ( -0.629 -0.480 -0.476) 0.923 8.037 ( 3.314 -4.586 -0.481) 5.678======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( -1.818 4.350 -0.337) 4.727 2.355 ( 1.824 2.860 -2.032) 3.954 2.554 ( -2.514 -0.187 1.577) 2.974 2.682 ( 0.401 -0.635 0.062) 0.754 2.976 ( -6.797 8.876 -1.720) 11.311 3.978 ( 1.055 -1.523 1.767) 2.560 5.988 ( -4.009 6.142 0.251) 7.339 6.156 ( 2.173 -1.895 -0.226) 2.892 6.415 ( 1.123 0.448 -0.532) 1.321 6.548 ( -4.355 5.117 0.061) 6.720 6.899 ( 0.227 0.589 0.204) 0.664 8.046 ( 3.312 -5.287 0.098) 6.240======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.074 ( -6.099 0.180 1.078) 6.197 2.336 ( -4.882 -0.025 3.141) 5.806 2.528 ( -2.506 2.036 -2.148) 3.878 2.666 ( -0.381 -2.593 0.515) 2.671 2.946 ( -4.282 7.969 -4.597) 10.148 3.944 ( -3.975 -2.289 1.736) 4.904 5.937 ( -6.816 2.990 -0.232) 7.446 6.116 ( -2.754 -3.135 1.119) 4.321 6.392 ( -3.535 2.217 0.829) 4.254 6.677 ( 7.965 7.922 -2.422) 11.492 6.923 ( 2.236 -0.170 1.648) 2.783 8.050 ( 3.201 -4.884 0.828) 5.898======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -10.150 -3.341 2.567) 10.990 2.227 ( -9.495 0.730 4.185) 10.402 2.463 ( -6.829 3.351 -2.547) 8.022 2.612 ( -2.189 -3.744 0.705) 4.394 2.989 ( 3.463 4.482 -3.876) 6.863 3.777 ( -12.590 -3.166 -0.080) 12.982 5.817 ( -8.647 0.828 -0.386) 8.695 6.045 ( -2.041 -1.629 1.177) 2.864 6.348 ( -4.451 2.679 0.665) 5.238 6.889 ( 7.194 5.649 -5.119) 10.482 7.003 ( 7.596 -0.709 3.850) 8.545 8.081 ( 4.606 -2.748 1.996) 5.723======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( -14.715 -3.415 2.252) 15.273 2.032 ( -14.433 0.606 2.987) 14.752 2.359 ( -7.026 2.314 -1.524) 7.553 2.526 ( -4.000 -2.745 0.030) 4.851 3.116 ( 6.752 2.443 0.772) 7.221 3.430 ( -21.558 -3.786 -2.961) 22.087 5.652 ( -9.951 -0.237 -0.323) 9.959 6.035 ( 1.619 -0.157 0.600) 1.734 6.301 ( -3.136 1.438 0.290) 3.462 6.987 ( 2.950 0.755 -2.008) 3.647 7.202 ( 11.935 1.122 0.666) 12.006 8.172 ( 6.493 -0.363 2.101) 6.834======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( -18.577 -0.000 0.000) 18.577 1.750 ( -18.627 -0.000 0.000) 18.627 2.261 ( -4.884 -0.000 0.000) 4.884 2.400 ( -9.453 -0.000 0.000) 9.453 2.939 ( -27.938 -0.000 0.000) 27.938 3.281 ( 8.502 0.000 -0.000) 8.502 5.475 ( -9.369 -0.000 0.000) 9.369 6.095 ( 4.761 0.000 -0.000) 4.761 6.276 ( -0.444 -0.000 0.000) 0.444 7.020 ( 0.957 0.000 -0.000) 0.957 7.424 ( 12.188 0.000 -0.000) 12.188 8.295 ( 6.493 0.000 -0.000) 6.493======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -0.000 18.798 10.355) 21.462 1.576 ( -0.000 20.636 5.642) 21.394 2.075 ( 0.000 0.240 -7.001) 7.005 2.292 ( -0.000 18.529 4.787) 19.137 2.689 ( 0.000 22.389 -5.108) 22.964 3.303 ( 0.000 -7.876 -0.967) 7.935 5.372 ( 0.000 7.975 -0.317) 7.981 6.145 ( -0.000 -4.819 -0.030) 4.819 6.269 ( -0.000 -2.237 0.198) 2.246 6.879 ( 0.000 0.807 -9.181) 9.216 7.576 ( -0.000 -12.251 2.867) 12.582 8.390 ( 0.000 -3.141 -1.755) 3.598======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -4.011 17.466 10.031) 20.537 1.820 ( 2.570 16.881 0.077) 17.076 2.124 ( 6.572 2.538 -5.826) 9.142 2.460 ( 1.660 7.574 1.567) 7.910 2.939 ( 4.028 17.067 -8.896) 19.664 3.270 ( 2.818 0.547 6.533) 7.135 5.491 ( 3.681 8.717 0.355) 9.469 6.087 ( -1.712 -3.256 -0.155) 3.682 6.261 ( 1.053 -0.695 -0.037) 1.262 6.869 ( 2.080 -2.104 -7.007) 7.606 7.435 ( -2.777 -11.671 2.489) 12.253 8.308 ( -4.511 -3.425 -2.229) 6.086======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -1.561 12.613 4.965) 13.644 2.024 ( 2.965 14.040 -1.827) 14.465 2.299 ( 8.577 6.164 -2.237) 10.796 2.534 ( 0.864 4.149 -0.717) 4.298 3.013 ( 2.211 -3.276 -4.755) 6.183 3.507 ( 7.668 15.452 5.831) 18.209 5.672 ( 5.609 9.188 1.458) 10.863 6.027 ( -2.075 -1.008 -0.918) 2.482 6.295 ( 2.057 1.876 -0.750) 2.883 6.857 ( 2.667 -4.868 -5.286) 7.665 7.263 ( -4.864 -10.164 2.486) 11.539 8.164 ( -6.459 -3.198 -2.614) 7.666======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 2.099 10.237 2.272) 10.694 2.182 ( 1.878 9.664 -3.089) 10.318 2.494 ( 5.984 4.791 0.036) 7.666 2.598 ( 1.287 5.141 0.917) 5.378 3.013 ( 3.421 -2.777 -0.692) 4.460 3.771 ( 5.080 9.798 1.794) 11.181 5.861 ( 4.367 8.065 2.359) 9.470 6.004 ( 0.095 1.807 -1.657) 2.454 6.355 ( 1.514 3.605 -1.974) 4.380 6.832 ( 2.389 -5.367 -4.265) 7.260 7.077 ( -6.701 -7.374 2.605) 10.299 8.025 ( -4.152 -3.159 -1.924) 5.561======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 2.962 9.310 1.312) 9.858 2.276 ( 1.230 6.055 -3.197) 6.957 2.592 ( 2.744 0.597 -0.070) 2.809 2.654 ( -0.801 1.203 3.389) 3.684 3.098 ( 3.051 7.347 0.160) 7.957 3.890 ( 2.025 1.666 -0.242) 2.633 5.985 ( 2.434 4.526 0.965) 5.229 6.066 ( 2.278 4.839 -0.284) 5.356 6.387 ( -0.279 1.302 -2.827) 3.125 6.800 ( -1.983 -1.681 -2.637) 3.703 6.923 ( -3.881 -2.475 2.122) 5.068 7.949 ( 0.170 -4.263 -0.769) 4.335======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( -0.661 7.823 0.477) 7.866 2.343 ( 1.924 3.582 -2.275) 4.659 2.593 ( -2.438 -1.681 1.582) 3.357 2.647 ( 1.352 -2.681 1.115) 3.203 3.208 ( -4.531 13.769 -0.845) 14.520 3.912 ( 2.965 -3.938 0.515) 4.956 6.073 ( 2.116 3.845 0.008) 4.389 6.126 ( -0.562 2.258 0.297) 2.346 6.371 ( 1.289 -2.302 -1.696) 3.137 6.717 ( -6.750 5.224 0.092) 8.536 6.906 ( 0.235 0.771 0.029) 0.807 7.928 ( 2.949 -5.571 -0.133) 6.304======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( -6.334 3.720 0.376) 7.355 2.387 ( -0.007 1.173 -0.056) 1.174 2.548 ( -0.424 -0.428 -0.273) 0.662 2.636 ( 0.449 -3.020 0.118) 3.056 3.185 ( -11.154 10.651 -2.126) 15.568 3.934 ( 2.766 -3.450 1.745) 4.754 6.068 ( -5.653 1.181 -0.015) 5.775 6.125 ( -0.225 -0.513 0.049) 0.562 6.408 ( 3.944 -0.283 0.373) 3.971 6.706 ( -2.349 8.951 -0.439) 9.265 6.908 ( -0.311 -0.410 0.118) 0.528 7.933 ( 3.938 -5.142 0.209) 6.480======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( -9.554 -0.218 0.617) 9.576 2.363 ( -4.164 0.671 1.576) 4.502 2.552 ( -0.531 1.939 -2.623) 3.305 2.606 ( -0.918 -3.027 1.206) 3.385 3.065 ( -8.394 4.316 -1.834) 9.615 3.910 ( -4.241 -1.413 0.938) 4.568 5.961 ( -6.864 0.079 -0.097) 6.865 6.084 ( -3.144 -0.709 0.357) 3.243 6.447 ( -1.908 1.729 0.741) 2.679 6.812 ( 5.394 6.524 -2.523) 8.833 6.906 ( 2.396 -2.903 1.783) 4.165 7.970 ( 4.833 -2.587 0.518) 5.506======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -11.566 -0.000 0.000) 11.566 2.251 ( -9.360 -0.000 0.000) 9.360 2.508 ( -7.339 -0.000 0.000) 7.339 2.554 ( -1.274 -0.000 0.000) 1.274 3.027 ( 2.481 0.000 -0.000) 2.481 3.741 ( -14.312 -0.000 0.000) 14.312 5.822 ( -8.989 -0.000 0.000) 8.989 6.033 ( -1.573 -0.000 0.000) 1.573 6.386 ( -5.020 -0.000 0.000) 5.020 6.933 ( 3.248 0.000 -0.000) 3.248 7.004 ( 10.761 0.000 -0.000) 10.761 8.057 ( 6.153 0.000 -0.000) 6.153======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -0.000 12.422 8.135) 14.849 1.973 ( -0.000 15.406 1.327) 15.463 2.047 ( 0.000 3.545 -7.830) 8.595 2.516 ( 0.000 5.067 -1.494) 5.282 2.961 ( 0.000 -0.919 -7.951) 8.004 3.360 ( -0.000 17.653 8.377) 19.540 5.543 ( -0.000 8.365 0.197) 8.367 6.080 ( -0.000 -1.328 0.266) 1.354 6.242 ( 0.000 -0.288 -0.079) 0.298 6.801 ( 0.000 -3.664 -6.086) 7.104 7.347 ( -0.000 -11.276 1.409) 11.364 8.309 ( 0.000 -3.433 -1.598) 3.787======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -2.573 4.781 -0.788) 5.487 2.116 ( 1.337 11.283 0.350) 11.367 2.221 ( 7.808 10.118 -1.153) 12.832 2.548 ( 0.886 2.440 -4.121) 4.871 2.915 ( 1.262 -6.284 -0.712) 6.449 3.614 ( 2.891 19.331 5.329) 20.260 5.669 ( 4.611 7.907 0.775) 9.186 6.059 ( -1.865 0.736 -0.412) 2.047 6.266 ( 2.199 1.344 -0.316) 2.596 6.751 ( 1.391 -5.544 -4.504) 7.277 7.223 ( -1.948 -9.956 0.847) 10.180 8.229 ( -4.522 -2.927 -1.586) 5.615======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 1.859 5.690 -0.529) 6.009 2.227 ( 1.811 5.943 -2.619) 6.742 2.454 ( 5.592 7.733 1.880) 9.726 2.608 ( 4.109 5.013 -2.717) 7.029 2.887 ( 3.560 -6.295 1.563) 7.399 3.839 ( 1.534 13.078 2.321) 13.371 5.855 ( 6.237 7.203 1.785) 9.694 6.037 ( -1.758 2.623 -1.392) 3.451 6.335 ( 3.163 2.511 -1.380) 4.268 6.711 ( 2.677 -6.240 -2.909) 7.387 7.087 ( -3.176 -7.821 0.726) 8.473 8.096 ( -6.569 -2.081 -1.363) 7.024======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( 4.400 7.000 0.746) 8.302 2.297 ( 1.852 3.560 -2.580) 4.771 2.557 ( 1.986 1.831 1.124) 2.926 2.694 ( -1.427 0.840 2.366) 2.888 3.011 ( 12.646 3.860 -0.108) 13.223 3.929 ( -2.467 5.115 -0.200) 5.682 5.998 ( 1.670 4.448 0.981) 4.851 6.072 ( 2.492 4.545 -0.200) 5.187 6.384 ( 0.377 0.247 -3.032) 3.065 6.729 ( 5.706 -2.371 -1.246) 6.303 6.965 ( -3.464 -4.526 0.866) 5.765 7.963 ( -5.431 -2.016 -0.789) 5.847======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( 3.618 6.738 0.240) 7.652 2.353 ( 1.015 3.514 -0.824) 3.750 2.597 ( 1.371 -0.449 0.656) 1.584 2.629 ( -3.686 -3.925 1.993) 5.741 3.311 ( 10.067 11.232 0.301) 15.086 3.866 ( -4.598 -3.179 -1.070) 5.691 6.063 ( 1.786 3.580 -0.603) 4.046 6.158 ( 1.722 2.834 1.625) 3.693 6.335 ( -1.876 -3.505 -2.609) 4.756 6.825 ( 2.203 3.720 -1.130) 4.468 6.896 ( -0.314 -1.182 1.183) 1.702 7.866 ( -2.100 -3.174 -0.285) 3.816======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( -1.716 4.663 -0.478) 4.991 2.389 ( -1.199 3.078 0.367) 3.323 2.530 ( -0.369 -5.113 0.714) 5.176 2.606 ( 0.239 -0.785 0.027) 0.821 3.487 ( -8.658 12.176 -0.773) 14.961 3.786 ( 6.883 -7.865 0.506) 10.464 6.116 ( 0.976 0.857 -0.283) 1.329 6.171 ( -4.300 1.659 0.295) 4.618 6.305 ( 4.854 -2.417 -0.375) 5.435 6.842 ( -2.628 4.817 0.258) 5.494 6.916 ( -0.364 -0.097 -0.287) 0.474 7.831 ( 1.974 -2.995 -0.023) 3.587======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.250 ( -9.496 -0.000 0.000) 9.496 2.403 ( -0.052 -0.000 0.000) 0.052 2.539 ( 1.882 0.000 -0.000) 1.882 2.599 ( -0.206 -0.000 0.000) 0.206 3.303 ( -14.338 -0.000 0.000) 14.338 3.894 ( 5.167 0.000 -0.000) 5.167 6.069 ( -5.619 -0.000 0.000) 5.619 6.127 ( -1.667 -0.000 0.000) 1.667 6.408 ( 6.092 0.000 -0.000) 6.092 6.853 ( -3.601 -0.000 0.000) 3.601 6.860 ( 0.187 0.000 -0.000) 0.187 7.874 ( 4.304 0.000 -0.000) 4.304======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.000 -0.261 -4.111) 4.119 2.179 ( 0.000 4.993 -7.246) 8.799 2.268 ( -0.000 11.794 2.919) 12.150 2.538 ( 0.000 1.116 -4.215) 4.361 2.857 ( -0.000 -4.719 4.558) 6.561 3.802 ( -0.000 17.907 4.615) 18.492 5.695 ( -0.000 5.916 0.411) 5.931 6.095 ( 0.000 2.690 -0.695) 2.778 6.261 ( 0.000 2.166 -0.183) 2.174 6.667 ( 0.000 -6.244 -2.672) 6.792 7.143 ( 0.000 -8.744 -0.234) 8.747 8.238 ( 0.000 -2.542 -1.175) 2.800======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 2.345 1.264 -2.877) 3.921 2.198 ( 2.986 -0.457 -8.042) 8.591 2.447 ( 6.338 9.311 1.963) 11.433 2.560 ( 1.953 2.233 -2.072) 3.619 2.826 ( -0.640 -3.847 5.234) 6.527 3.976 ( -0.311 12.849 2.950) 13.187 5.804 ( 5.896 4.639 0.657) 7.531 6.104 ( -2.174 3.751 -1.552) 4.605 6.308 ( 2.218 2.704 -0.425) 3.523 6.606 ( 1.142 -6.387 -0.928) 6.554 7.049 ( -1.298 -6.800 -0.611) 6.950 8.174 ( -4.183 -1.684 -0.909) 4.600======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( 6.014 3.666 -0.077) 7.044 2.238 ( 4.989 -1.383 -5.017) 7.210 2.569 ( 0.306 2.736 1.207) 3.007 2.718 ( 5.414 5.113 -1.198) 7.542 2.809 ( 6.599 -2.574 3.747) 8.013 4.051 ( -3.477 6.584 0.885) 7.498 5.975 ( 6.952 3.632 1.096) 7.920 6.099 ( -1.604 3.560 -1.612) 4.224 6.366 ( 1.388 1.188 -1.542) 2.391 6.591 ( 4.591 -4.315 0.371) 6.311 6.963 ( -1.699 -4.137 -0.446) 4.494 8.061 ( -6.536 -0.822 -0.547) 6.610======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( 5.818 3.435 0.420) 6.769 2.314 ( 5.694 -0.062 -1.526) 5.895 2.591 ( 0.013 0.736 0.595) 0.946 2.682 ( -4.664 -1.496 1.222) 5.048 3.108 ( 18.327 3.353 0.183) 18.633 3.988 ( -8.090 1.291 -0.328) 8.199 6.082 ( 0.605 3.614 -0.425) 3.689 6.128 ( 3.175 0.089 0.658) 3.244 6.349 ( -2.440 -1.074 -1.406) 3.014 6.706 ( 9.958 -0.309 0.157) 9.964 6.910 ( -1.176 -1.134 -0.032) 1.634 7.933 ( -6.702 -0.658 -0.209) 6.738======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( 3.576 0.000 -0.000) 3.576 2.419 ( 5.149 0.000 -0.000) 5.149 2.555 ( -6.338 -0.000 0.000) 6.338 2.606 ( -0.709 -0.000 0.000) 0.709 3.457 ( 17.775 0.000 -0.000) 17.775 3.804 ( -12.413 -0.000 0.000) 12.413 6.107 ( 0.654 0.000 -0.000) 0.654 6.197 ( 4.393 0.000 -0.000) 4.393 6.272 ( -4.715 -0.000 0.000) 4.715 6.869 ( 6.608 0.000 -0.000) 6.608 6.889 ( -0.991 -0.000 0.000) 0.991 7.830 ( -3.603 -0.000 0.000) 3.603======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 0.000 -0.212 -2.808) 2.816 2.106 ( 0.000 -3.542 -9.214) 9.871 2.470 ( -0.000 6.264 1.711) 6.493 2.576 ( -0.000 2.636 0.174) 2.641 2.821 ( -0.000 -2.106 4.202) 4.700 4.106 ( -0.000 9.323 2.420) 9.632 5.783 ( -0.000 2.531 0.228) 2.542 6.163 ( 0.000 4.209 -2.143) 4.723 6.314 ( 0.000 2.539 -0.065) 2.539 6.535 ( -0.000 -5.674 0.861) 5.739 6.998 ( 0.000 -4.860 -0.988) 4.959 8.194 ( 0.000 -1.227 -0.601) 1.366======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( 5.916 1.453 -0.015) 6.091 2.093 ( 4.672 -3.178 -5.465) 7.861 2.587 ( 4.972 3.136 1.106) 5.982 2.600 ( 2.688 1.540 -0.432) 3.128 2.801 ( -1.619 -1.236 2.330) 3.095 4.164 ( -2.161 4.325 1.016) 4.940 5.867 ( 6.808 1.367 0.214) 6.947 6.168 ( -2.493 2.673 -1.479) 3.943 6.353 ( 1.486 1.464 -0.348) 2.115 6.500 ( 1.455 -3.454 1.071) 3.898 6.949 ( -0.866 -2.421 -0.604) 2.641 8.148 ( -3.847 -0.499 -0.288) 3.890======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.150 ( 5.630 0.000 -0.000) 5.630 2.161 ( 9.175 0.000 -0.000) 9.175 2.599 ( -0.264 -0.000 0.000) 0.264 2.752 ( -3.475 -0.000 0.000) 3.475 2.815 ( 15.258 0.000 -0.000) 15.258 4.120 ( -5.367 -0.000 0.000) 5.367 6.016 ( 7.807 0.000 -0.000) 7.807 6.134 ( -2.258 -0.000 0.000) 2.258 6.371 ( -0.407 -0.000 0.000) 0.407 6.548 ( 6.264 0.000 -0.000) 6.264 6.919 ( -0.936 -0.000 0.000) 0.936 8.052 ( -6.504 -0.000 0.000) 6.504======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -0.000 0.000 0.000) 0.000 2.028 ( -0.000 0.000 0.000) 0.000 2.540 ( -0.000 0.000 0.000) 0.000 2.606 ( -0.000 0.000 0.000) 0.000 2.813 ( -0.000 0.000 0.000) 0.000 4.209 ( -0.000 0.000 0.000) 0.000 5.808 ( -0.000 0.000 0.000) 0.000 6.208 ( -0.000 0.000 0.000) 0.000 6.343 ( -0.000 0.000 0.000) 0.000 6.472 ( -0.000 0.000 0.000) 0.000 6.943 ( -0.000 0.000 0.000) 0.000 8.180 ( -0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.228 ( -0.000 0.000 24.044) 24.044 0.228 ( -0.000 0.000 24.044) 24.044 0.392 ( -0.000 0.000 41.414) 41.414 2.134 ( 0.000 -0.000 -2.061) 2.061 2.134 ( 0.000 -0.000 -2.061) 2.061 4.054 ( 0.000 -0.000 -5.721) 5.721 5.126 ( 0.000 0.000 -0.036) 0.036 5.126 ( 0.000 -0.000 -0.036) 0.036 6.388 ( -0.000 0.000 0.074) 0.074 6.388 ( -0.000 0.000 0.074) 0.074 8.064 ( -0.000 0.000 1.486) 1.486 8.501 ( 0.000 -0.000 -0.561) 0.561======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.444 ( 14.839 8.567 7.439) 18.680 0.510 ( 13.511 7.801 13.898) 20.894 1.080 ( 32.822 18.950 21.226) 43.439 2.147 ( 1.096 0.633 -1.372) 1.867 2.168 ( 4.040 2.333 -4.234) 6.300 3.591 ( -5.479 -3.163 0.968) 6.400 5.162 ( 2.739 1.581 0.398) 3.187 6.358 ( -2.726 -1.574 0.124) 3.151 6.365 ( -1.770 -1.022 -0.110) 2.046 6.638 ( 25.041 14.458 -42.675) 51.548 8.003 ( -6.196 -3.577 3.776) 8.090 8.444 ( -2.014 -1.163 -1.778) 2.927======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 17.259 9.964 0.999) 19.954 0.895 ( 16.191 9.348 2.970) 18.930 1.898 ( 30.659 17.701 15.152) 38.508 2.177 ( 1.636 0.944 -0.571) 1.973 2.284 ( 7.166 4.137 -7.119) 10.915 3.491 ( -3.374 -1.948 -1.972) 4.366 5.256 ( 5.080 2.933 0.661) 5.903 6.263 ( -5.092 -2.940 -0.221) 5.884 6.311 ( -2.534 -1.463 -0.258) 2.937 6.896 ( 8.888 5.132 -14.552) 17.807 7.823 ( -9.805 -5.661 5.114) 12.423 8.369 ( -3.725 -2.151 -5.742) 7.174======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( 16.456 9.501 -1.603) 19.070 1.274 ( 15.833 9.141 -3.481) 18.611 2.221 ( 2.198 1.269 0.401) 2.569 2.396 ( 7.045 4.067 -0.341) 8.141 2.628 ( 24.018 13.867 1.226) 27.760 3.429 ( -1.194 -0.689 2.263) 2.650 5.400 ( 6.706 3.872 0.745) 7.779 6.134 ( -5.204 -3.004 -0.675) 6.047 6.255 ( -1.894 -1.093 -0.356) 2.216 7.015 ( 3.762 2.172 -5.212) 6.785 7.584 ( -11.663 -6.734 4.699) 14.263 8.243 ( -4.553 -2.629 -7.495) 9.155======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 13.410 7.742 -3.171) 15.806 1.614 ( 14.383 8.304 -7.273) 18.131 2.284 ( 2.888 1.667 1.507) 3.659 2.530 ( 5.262 3.038 -2.755) 6.672 3.021 ( 6.973 4.026 -1.108) 8.128 3.518 ( 8.493 4.903 8.004) 12.659 5.564 ( 6.644 3.836 0.683) 7.702 6.037 ( -2.293 -1.324 -1.136) 2.881 6.230 ( 0.031 0.018 -0.368) 0.370 7.033 ( -1.160 -0.670 -2.049) 2.448 7.300 ( -13.332 -7.697 2.184) 15.549 8.142 ( -1.783 -1.029 -5.654) 6.017======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 8.728 5.039 -3.817) 10.777 1.906 ( 12.546 7.243 -8.503) 16.798 2.365 ( 3.388 1.956 2.264) 4.520 2.629 ( 3.608 2.083 -2.097) 4.665 3.034 ( -3.471 -2.004 2.743) 4.857 3.777 ( 9.204 5.314 4.970) 11.733 5.701 ( 4.579 2.644 0.476) 5.309 6.033 ( 2.348 1.356 -1.586) 3.141 6.256 ( 2.114 1.220 -0.243) 2.453 6.951 ( -9.189 -5.305 4.386) 11.481 6.996 ( -7.823 -4.517 -5.807) 10.739 8.124 ( 0.966 0.558 -2.264) 2.524======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 4.327 2.498 -3.089) 5.874 2.151 ( 10.240 5.912 -7.652) 14.084 2.444 ( 2.274 1.313 2.008) 3.306 2.675 ( 0.530 0.306 -1.462) 1.585 2.936 ( -4.888 -2.822 3.859) 6.838 3.945 ( 4.026 2.324 3.054) 5.562 5.779 ( 2.028 1.171 0.227) 2.353 6.133 ( 6.311 3.643 -1.855) 7.519 6.312 ( 2.180 1.258 -0.065) 2.518 6.658 ( -12.186 -7.035 1.146) 14.117 6.914 ( -1.588 -0.917 -1.752) 2.536 8.151 ( 1.214 0.701 -0.459) 1.475======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.040 ( 1.132 0.653 -1.349) 1.878 2.318 ( 4.199 2.424 -3.070) 5.739 2.469 ( -0.758 -0.438 0.955) 1.295 2.655 ( -0.526 -0.304 -0.728) 0.948 2.852 ( -2.636 -1.522 -0.620) 3.106 3.994 ( -0.513 -0.296 2.745) 2.809 5.802 ( -0.063 -0.036 0.065) 0.098 6.273 ( 2.111 1.219 -0.859) 2.584 6.340 ( 0.020 0.011 0.030) 0.038 6.450 ( -1.933 -1.116 0.374) 2.263 6.902 ( 0.823 0.475 0.397) 1.030 8.168 ( 0.230 0.133 0.186) 0.324======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( -2.143 -1.237 1.296) 2.793 2.282 ( -6.853 -3.957 5.575) 9.680 2.413 ( -3.756 -2.168 -0.901) 4.429 2.692 ( 1.440 0.832 0.250) 1.682 2.821 ( 2.778 1.604 -7.838) 8.469 3.929 ( -5.934 -3.426 1.585) 7.033 5.776 ( -2.214 -1.278 -0.073) 2.558 6.168 ( -6.124 -3.536 1.684) 7.270 6.313 ( -2.089 -1.206 0.084) 2.413 6.617 ( 11.033 6.370 -2.856) 13.056 6.956 ( 3.485 2.012 2.355) 4.663 8.168 ( -0.189 -0.109 1.223) 1.242======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( -7.677 -4.433 4.808) 10.085 2.080 ( -11.784 -6.804 9.020) 16.326 2.309 ( -3.857 -2.227 -3.537) 5.687 2.653 ( -3.609 -2.084 0.481) 4.195 2.952 ( 8.129 4.693 -6.086) 11.187 3.707 ( -13.165 -7.601 -1.706) 15.298 5.693 ( -4.843 -2.796 -0.317) 5.601 6.065 ( -2.694 -1.556 1.669) 3.531 6.260 ( -1.962 -1.133 0.202) 2.274 6.855 ( 9.218 5.322 -5.605) 12.030 7.087 ( 6.960 4.018 3.577) 8.796 8.182 ( 1.168 0.674 3.407) 3.664======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( -13.909 -8.031 6.819) 17.449 1.788 ( -15.481 -8.938 9.978) 20.472 2.227 ( -1.987 -1.147 -4.477) 5.031 2.542 ( -6.068 -3.504 -1.020) 7.081 3.086 ( -1.664 -0.961 5.105) 5.455 3.335 ( -11.668 -6.736 -10.514) 17.090 5.550 ( -6.836 -3.947 -0.636) 7.919 6.059 ( 1.787 1.032 1.069) 2.324 6.237 ( 0.049 0.029 0.360) 0.365 6.991 ( 3.954 2.283 -5.674) 7.283 7.299 ( 9.847 5.685 1.549) 11.475 8.252 ( 3.536 2.041 5.221) 6.627======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -17.492 -10.099 7.827) 21.662 1.417 ( -18.464 -10.660 9.954) 23.530 2.180 ( -1.031 -0.596 -3.962) 4.137 2.305 ( -16.150 -9.324 -5.371) 19.406 2.694 ( -20.350 -11.749 3.906) 23.820 3.360 ( 6.659 3.845 -4.354) 8.837 5.384 ( -6.734 -3.888 -0.847) 7.822 6.143 ( 4.748 2.741 0.268) 5.489 6.263 ( 1.863 1.076 0.436) 2.195 7.022 ( 0.339 0.195 -4.591) 4.607 7.541 ( 10.223 5.902 0.272) 11.808 8.364 ( 4.061 2.344 4.435) 6.454======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( -18.835 -10.875 9.650) 23.794 0.991 ( -20.098 -11.603 10.094) 25.307 1.678 ( -32.446 -18.733 -5.553) 37.875 2.151 ( -0.514 -0.297 -3.304) 3.357 2.377 ( -9.373 -5.412 2.141) 11.033 3.491 ( 4.890 2.823 -1.637) 5.879 5.241 ( -4.912 -2.836 -0.813) 5.730 6.262 ( 4.843 2.796 -0.322) 5.602 6.318 ( 2.421 1.398 0.396) 2.824 6.991 ( -1.468 -0.847 -6.161) 6.390 7.777 ( 9.486 5.477 1.017) 11.000 8.448 ( 1.990 1.149 1.742) 2.884======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( -0.000 23.758 8.048) 25.084 0.678 ( -0.000 18.545 17.574) 25.549 1.015 ( -0.000 29.336 24.588) 38.277 2.101 ( 0.000 -0.540 -4.607) 4.639 2.196 ( 0.000 6.563 -2.421) 6.995 3.589 ( -0.000 -8.263 0.121) 8.264 5.148 ( 0.000 2.601 -0.407) 2.633 6.344 ( 0.000 -1.756 -2.810) 3.314 6.371 ( -0.000 -1.784 0.263) 1.803 6.501 ( 0.000 33.047 -40.128) 51.984 8.012 ( -0.000 -7.149 3.726) 8.062 8.458 ( 0.000 -0.974 -1.670) 1.933======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( -1.536 18.237 16.540) 24.668 0.939 ( 4.624 24.326 1.939) 24.838 1.662 ( 23.992 25.049 16.122) 38.249 2.115 ( 3.699 -0.333 -4.456) 5.800 2.273 ( 0.991 8.710 -3.971) 9.624 3.493 ( -1.736 -4.893 -3.454) 6.235 5.216 ( 3.491 3.892 0.064) 5.228 6.289 ( -2.183 -4.692 -0.581) 5.208 6.333 ( -1.723 -1.987 0.142) 2.634 6.746 ( 8.984 12.126 -21.517) 26.282 7.893 ( -4.896 -9.518 4.923) 11.781 8.407 ( -3.644 -0.872 -4.143) 5.586======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 6.848 15.195 9.472) 19.171 1.274 ( 6.539 21.503 -2.404) 22.603 2.169 ( 5.677 1.405 -3.535) 6.834 2.314 ( 11.074 7.810 7.290) 15.387 2.440 ( 13.865 19.358 -2.626) 23.956 3.421 ( -0.188 -3.478 -1.248) 3.700 5.344 ( 5.355 5.489 0.552) 7.688 6.177 ( -4.168 -4.763 -0.713) 6.369 6.282 ( -2.015 -1.039 -0.104) 2.270 6.918 ( 6.999 3.670 -9.803) 12.591 7.693 ( -8.022 -9.940 5.307) 13.832 8.289 ( -5.806 -1.981 -6.408) 8.871======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 9.876 11.554 2.849) 15.464 1.587 ( 7.111 18.015 -4.871) 19.971 2.264 ( 3.666 3.402 -0.835) 5.071 2.460 ( 4.786 3.794 -2.938) 6.777 2.917 ( 12.405 11.584 -0.288) 16.975 3.449 ( 5.804 1.331 5.372) 8.020 5.511 ( 5.887 6.728 0.835) 8.979 6.062 ( -3.310 -3.266 -1.025) 4.762 6.248 ( -1.338 0.806 -0.363) 1.603 6.999 ( 2.893 -0.864 -5.112) 5.937 7.442 ( -10.872 -9.640 4.321) 15.159 8.152 ( -3.956 -2.114 -6.142) 7.606======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 9.836 8.261 -1.363) 12.917 1.853 ( 6.139 14.199 -5.940) 16.571 2.364 ( 2.465 5.570 1.066) 6.184 2.567 ( 4.687 2.261 -2.411) 5.735 3.060 ( 0.045 0.163 0.132) 0.214 3.680 ( 10.327 6.246 5.708) 13.350 5.678 ( 4.267 7.042 0.892) 8.282 6.007 ( 0.285 -0.739 -1.394) 1.604 6.254 ( 0.249 2.561 -0.463) 2.615 6.978 ( -0.774 -2.845 -4.193) 5.126 7.140 ( -13.499 -8.631 2.393) 16.200 8.090 ( 0.677 -1.700 -3.055) 3.561======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 6.589 5.660 -2.450) 9.025 2.062 ( 6.024 10.423 -6.587) 13.723 2.464 ( 1.050 6.246 2.003) 6.643 2.646 ( 2.786 0.908 -1.762) 3.419 3.007 ( -4.331 -2.096 2.433) 5.392 3.894 ( 6.209 3.398 3.483) 7.888 5.799 ( 1.052 6.656 0.663) 6.771 6.051 ( 4.659 1.405 -1.684) 5.150 6.301 ( 1.501 3.081 -0.312) 3.441 6.817 ( -12.800 -7.058 -0.959) 14.648 6.923 ( -1.943 -1.755 -0.819) 2.743 8.103 ( 2.904 -1.950 -0.731) 3.573======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 1.854 3.802 -2.031) 4.693 2.244 ( 6.390 6.595 -5.734) 10.826 2.522 ( -1.853 4.293 2.173) 5.156 2.667 ( -0.303 0.262 -1.182) 1.248 2.906 ( -5.109 -1.222 0.749) 5.306 3.995 ( 1.948 0.495 3.361) 3.916 5.856 ( -2.014 5.917 0.331) 6.259 6.170 ( 6.793 0.728 -1.442) 6.982 6.358 ( 1.459 3.361 -0.314) 3.678 6.549 ( -10.173 -3.779 0.434) 10.861 6.895 ( 0.061 -0.214 -0.188) 0.291 8.129 ( 2.572 -2.645 0.016) 3.689======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( -1.249 1.451 -0.574) 1.999 2.342 ( -0.266 0.872 -0.333) 0.971 2.494 ( -4.714 1.339 1.173) 5.039 2.672 ( 0.932 2.350 -1.096) 2.756 2.820 ( -3.231 0.773 -4.145) 5.313 3.993 ( -2.934 -1.707 3.234) 4.688 5.852 ( -4.388 4.289 0.114) 6.137 6.204 ( -1.638 -4.763 0.617) 5.075 6.365 ( -4.110 0.738 0.140) 4.178 6.516 ( 6.759 6.642 -1.578) 9.607 6.921 ( 2.462 0.703 1.306) 2.874 8.139 ( 1.869 -3.115 0.560) 3.675======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( -4.841 -2.976 2.462) 6.193 2.252 ( -8.601 -2.038 5.373) 10.344 2.401 ( -7.111 1.479 -1.539) 7.425 2.681 ( -1.885 -2.543 0.944) 3.303 2.850 ( 5.733 6.299 -8.203) 11.825 3.858 ( -10.275 -4.324 1.437) 11.241 5.787 ( -6.474 1.716 -0.031) 6.698 6.102 ( -3.557 -3.428 1.442) 5.146 6.309 ( -3.527 0.886 0.242) 3.644 6.737 ( 9.323 7.107 -4.432) 12.533 7.008 ( 5.782 1.246 2.833) 6.558 8.148 ( 2.540 -2.575 1.942) 4.106======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -10.647 -8.576 6.171) 15.000 2.053 ( -13.918 -1.603 6.211) 15.325 2.290 ( -6.050 2.445 -3.708) 7.505 2.595 ( -4.145 -3.410 -0.198) 5.371 3.028 ( 8.450 5.402 -3.498) 10.622 3.539 ( -19.015 -7.248 -1.794) 20.429 5.659 ( -8.334 -0.690 -0.216) 8.365 6.048 ( -0.133 -0.951 1.113) 1.470 6.266 ( -2.449 1.429 0.270) 2.848 6.917 ( 5.784 4.204 -6.083) 9.388 7.174 ( 9.632 2.428 2.655) 10.282 8.201 ( 4.581 -0.991 3.425) 5.805======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( -15.684 -11.583 7.699) 20.962 1.768 ( -18.619 -1.294 5.545) 19.470 2.217 ( -3.902 2.446 -3.914) 6.044 2.450 ( -8.757 -4.049 -1.152) 9.716 3.023 ( -25.498 -7.228 3.349) 26.713 3.242 ( 8.140 2.731 -6.259) 10.625 5.491 ( -8.799 -1.653 -0.380) 8.961 6.085 ( 3.814 0.872 0.415) 3.935 6.259 ( -0.127 1.414 0.276) 1.446 6.993 ( 1.949 1.605 -5.353) 5.919 7.396 ( 11.299 2.900 1.332) 11.741 8.302 ( 5.739 0.038 2.896) 6.428======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -18.049 -11.660 8.579) 23.137 1.403 ( -22.406 -2.054 3.248) 22.733 2.113 ( -26.811 -3.907 0.603) 27.101 2.173 ( -2.514 1.810 -3.498) 4.672 2.546 ( -16.839 -4.957 0.155) 17.554 3.402 ( 7.083 2.180 -1.787) 7.623 5.329 ( -7.424 -0.998 -0.333) 7.498 6.186 ( 5.763 1.196 -0.205) 5.889 6.287 ( 1.878 0.671 0.233) 2.007 6.995 ( -1.091 0.869 -5.881) 6.045 7.631 ( 11.582 2.207 1.786) 11.925 8.399 ( 4.466 -0.583 0.191) 4.508======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( -0.000 22.848 5.964) 23.613 1.162 ( -0.000 18.997 13.369) 23.230 1.773 ( -0.000 31.187 15.084) 34.643 2.055 ( 0.000 -0.371 -6.608) 6.618 2.354 ( 0.000 10.815 -4.536) 11.728 3.436 ( 0.000 -6.134 -4.259) 7.468 5.230 ( 0.000 5.626 -0.354) 5.637 6.252 ( 0.000 -5.241 -0.627) 5.279 6.324 ( -0.000 -2.776 0.241) 2.786 6.733 ( 0.000 11.394 -17.651) 21.009 7.838 ( -0.000 -11.820 4.539) 12.661 8.423 ( 0.000 -1.120 -4.020) 4.173======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( -3.577 19.219 14.001) 24.046 1.425 ( 2.047 21.709 0.486) 21.811 2.067 ( 4.692 1.904 -7.046) 8.677 2.246 ( 11.342 16.793 11.284) 23.195 2.483 ( 3.384 17.650 -6.504) 19.112 3.365 ( 0.497 -5.251 -2.219) 5.722 5.328 ( 3.609 6.977 0.161) 7.857 6.178 ( -2.068 -5.295 -0.525) 5.709 6.291 ( -0.609 -2.004 0.094) 2.096 6.821 ( 4.530 4.955 -11.006) 12.892 7.695 ( -3.534 -12.324 4.391) 13.552 8.351 ( -4.647 -1.826 -4.921) 7.010======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( -0.553 16.576 9.608) 19.167 1.676 ( 3.358 19.065 -2.620) 19.535 2.188 ( 7.605 3.613 -4.620) 9.604 2.441 ( 2.109 4.981 -0.670) 5.451 2.849 ( 10.682 16.830 -2.365) 20.073 3.372 ( 4.869 0.033 4.018) 6.313 5.491 ( 5.518 8.382 0.928) 10.078 6.078 ( -3.093 -4.009 -0.851) 5.135 6.271 ( -0.359 0.199 -0.347) 0.537 6.899 ( 4.524 -0.685 -6.656) 8.077 7.499 ( -6.233 -11.621 4.186) 13.835 8.208 ( -6.530 -2.240 -5.356) 8.738======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 2.763 12.636 3.932) 13.519 1.909 ( 3.454 15.706 -3.346) 16.425 2.359 ( 6.241 6.639 -1.307) 9.205 2.518 ( 2.706 3.433 -1.618) 4.661 3.038 ( 2.848 1.471 -2.477) 4.051 3.586 ( 9.905 8.143 5.452) 13.934 5.684 ( 5.187 9.193 1.546) 10.668 6.001 ( -1.471 -1.672 -1.277) 2.567 6.282 ( 0.048 2.716 -0.947) 2.877 6.915 ( 2.050 -3.864 -5.308) 6.879 7.264 ( -9.316 -9.754 3.444) 13.921 8.075 ( -3.324 -2.453 -3.730) 5.566======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 4.295 9.927 1.268) 10.890 2.087 ( 2.501 11.338 -4.282) 12.375 2.517 ( 2.838 7.755 0.965) 8.315 2.597 ( 3.138 2.163 -0.775) 3.889 3.047 ( -0.868 -0.721 0.202) 1.146 3.823 ( 7.069 4.750 2.556) 8.892 5.853 ( 2.660 8.619 1.774) 9.193 5.998 ( 2.096 1.052 -1.642) 2.863 6.318 ( 0.471 3.740 -1.269) 3.977 6.865 ( -1.401 -4.651 -5.394) 7.259 7.011 ( -9.973 -5.552 3.209) 11.857 8.025 ( 1.540 -3.313 -1.280) 3.871======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 2.100 7.647 -0.058) 7.930 2.217 ( 3.183 7.811 -4.335) 9.484 2.599 ( -0.709 2.833 1.707) 3.383 2.660 ( 1.486 1.991 0.178) 2.491 3.010 ( -4.694 3.513 -0.420) 5.879 3.951 ( 4.222 0.212 2.205) 4.768 5.960 ( -0.410 7.506 1.177) 7.608 6.074 ( 4.538 2.086 -1.386) 5.183 6.360 ( 1.192 2.500 -1.124) 2.989 6.695 ( -9.620 -3.149 -1.336) 10.210 6.901 ( -1.286 -0.383 0.442) 1.413 8.034 ( 3.574 -4.490 -0.157) 5.741======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( -1.803 4.989 -0.473) 5.326 2.329 ( 3.023 4.329 -3.215) 6.182 2.572 ( -3.097 -1.000 2.044) 3.843 2.683 ( 0.151 -0.267 0.349) 0.465 2.953 ( -7.868 8.339 -2.986) 11.848 4.001 ( 1.425 -1.990 3.045) 3.907 5.992 ( -4.295 6.003 0.476) 7.397 6.153 ( 2.804 -1.435 -0.417) 3.177 6.408 ( 1.787 0.880 -0.922) 2.195 6.548 ( -5.033 4.629 0.072) 6.839 6.901 ( 0.660 0.620 0.379) 0.981 8.047 ( 3.497 -5.241 0.160) 6.302======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( -5.267 0.628 0.616) 5.340 2.356 ( -2.846 0.512 0.746) 2.987 2.516 ( -3.402 0.733 -0.314) 3.495 2.673 ( 0.012 -2.555 0.999) 2.743 2.899 ( -5.781 9.218 -5.237) 12.075 3.964 ( -4.427 -2.841 2.572) 5.855 5.937 ( -6.895 2.875 0.311) 7.476 6.124 ( -2.348 -3.207 0.565) 4.015 6.397 ( -3.508 2.519 0.379) 4.335 6.651 ( 6.756 7.649 -2.832) 10.591 6.939 ( 3.182 -0.082 1.569) 3.549 8.057 ( 3.692 -4.841 0.738) 6.133======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -8.980 -4.053 2.943) 10.282 2.257 ( -8.776 -0.398 2.028) 9.016 2.441 ( -6.959 3.293 -1.732) 7.891 2.620 ( -2.660 -3.547 0.962) 4.536 2.949 ( 3.976 6.423 -4.414) 8.750 3.782 ( -13.562 -3.553 1.091) 14.062 5.817 ( -8.758 0.780 0.419) 8.803 6.053 ( -1.949 -1.935 0.479) 2.788 6.353 ( -4.571 2.697 0.209) 5.312 6.839 ( 6.709 5.856 -5.326) 10.377 7.036 ( 7.695 -0.505 3.031) 8.286 8.097 ( 5.261 -3.157 1.369) 6.286======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -13.957 -5.831 4.385) 15.749 2.049 ( -13.972 -1.381 0.508) 14.050 2.342 ( -7.243 3.546 -2.116) 8.338 2.528 ( -4.342 -2.604 0.561) 5.094 3.105 ( 8.122 3.122 -3.146) 9.252 3.423 ( -22.896 -2.722 1.630) 23.115 5.652 ( -10.086 -0.151 0.432) 10.097 6.037 ( 1.609 -0.522 -0.037) 1.692 6.302 ( -3.125 1.291 -0.054) 3.381 6.955 ( 3.322 3.028 -4.438) 6.317 7.216 ( 11.302 0.242 2.148) 11.507 8.185 ( 6.746 -1.708 0.511) 6.978======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( -18.044 -3.823 4.263) 18.930 1.738 ( -18.647 -3.018 -2.444) 19.047 2.252 ( -5.101 1.860 -1.870) 5.742 2.410 ( -8.683 0.733 2.067) 8.956 2.921 ( -26.227 -1.541 -3.462) 26.500 3.297 ( 6.255 2.877 3.052) 7.531 5.477 ( -9.455 0.259 0.453) 9.469 6.092 ( 4.796 -0.241 -0.481) 4.826 6.276 ( -0.389 -0.176 -0.117) 0.443 7.003 ( 0.606 2.220 -3.434) 4.134 7.434 ( 12.305 -0.279 2.147) 12.494 8.284 ( 6.330 -1.927 -2.258) 6.991======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -0.000 17.758 9.753) 20.260 1.616 ( -0.000 19.814 3.038) 20.046 2.005 ( 0.000 -0.087 -7.617) 7.617 2.355 ( -0.000 13.383 7.486) 15.335 2.625 ( 0.000 22.239 -7.647) 23.516 3.303 ( -0.000 -4.108 0.752) 4.176 5.371 ( 0.000 8.090 0.064) 8.090 6.145 ( -0.000 -4.575 -0.077) 4.576 6.270 ( -0.000 -2.306 0.014) 2.306 6.794 ( 0.000 2.928 -8.800) 9.274 7.605 ( -0.000 -13.090 3.342) 13.510 8.360 ( 0.000 -2.253 -4.436) 4.976======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( -4.219 14.396 4.314) 15.609 1.825 ( 1.075 17.121 3.550) 17.518 2.067 ( 7.852 3.683 -6.158) 10.637 2.465 ( 0.931 4.955 -1.244) 5.193 2.867 ( 4.652 14.405 -5.544) 16.120 3.334 ( 3.264 5.308 6.722) 9.166 5.495 ( 4.033 8.866 0.621) 9.760 6.085 ( -2.033 -3.177 -0.358) 3.789 6.260 ( 0.914 -0.792 -0.233) 1.232 6.806 ( 2.475 -1.004 -6.046) 6.610 7.460 ( -2.479 -12.549 2.646) 13.062 8.277 ( -4.842 -2.391 -4.327) 6.920======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( -1.044 10.159 1.094) 10.271 2.020 ( 1.339 14.083 1.409) 14.216 2.279 ( 9.541 7.908 -2.085) 12.567 2.518 ( 1.621 3.708 -2.844) 4.947 2.978 ( 3.073 -0.728 -2.592) 4.086 3.561 ( 6.525 13.371 5.593) 15.895 5.686 ( 6.017 9.425 1.497) 11.282 6.018 ( -2.400 -1.129 -1.005) 2.836 6.286 ( 1.678 1.637 -0.994) 2.546 6.811 ( 2.774 -4.243 -4.413) 6.721 7.285 ( -4.417 -10.963 2.265) 12.034 8.134 ( -6.526 -2.135 -3.586) 7.747======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 2.425 9.546 1.470) 9.958 2.159 ( 0.982 9.530 -1.631) 9.718 2.497 ( 5.713 5.446 0.530) 7.910 2.600 ( 2.790 6.328 -0.440) 6.929 3.007 ( 3.710 -2.075 -0.426) 4.272 3.788 ( 4.283 8.295 1.757) 9.500 5.884 ( 4.478 8.273 2.382) 9.704 5.989 ( -0.026 1.736 -1.602) 2.362 6.336 ( 1.252 3.027 -2.087) 3.884 6.795 ( 2.162 -4.419 -3.684) 6.146 7.099 ( -6.255 -7.953 2.028) 10.319 8.006 ( -3.760 -2.468 -1.928) 4.893======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 2.647 9.099 1.553) 9.603 2.250 ( 0.904 6.703 -2.365) 7.165 2.592 ( 2.440 0.844 -0.079) 2.582 2.682 ( -0.431 1.722 2.668) 3.205 3.095 ( 2.919 7.401 -0.670) 7.984 3.890 ( 2.304 0.739 0.209) 2.428 5.991 ( 2.181 3.347 0.370) 4.012 6.067 ( 2.290 6.238 0.476) 6.662 6.361 ( 0.049 0.740 -2.550) 2.656 6.775 ( -1.241 -0.391 -2.641) 2.944 6.942 ( -4.440 -3.014 1.786) 5.656 7.942 ( 0.513 -4.061 -0.537) 4.128======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -1.053 7.795 0.785) 7.905 2.322 ( 1.754 4.536 -2.043) 5.275 2.604 ( -1.466 -1.240 0.626) 2.019 2.660 ( 0.073 -3.624 1.643) 3.979 3.195 ( -5.301 14.034 -1.845) 15.115 3.921 ( 3.971 -4.389 1.314) 6.063 6.073 ( 2.610 3.129 -0.122) 4.077 6.129 ( -1.442 2.984 0.414) 3.340 6.356 ( 2.092 -1.961 -1.440) 3.208 6.717 ( -6.285 5.491 -0.151) 8.347 6.907 ( -0.090 0.567 0.077) 0.580 7.927 ( 3.085 -5.547 -0.048) 6.347======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.210 ( -6.286 3.829 0.494) 7.377 2.380 ( 0.845 2.143 -1.333) 2.662 2.552 ( -1.552 -1.355 0.972) 2.278 2.639 ( 0.688 -3.088 0.436) 3.194 3.163 ( -11.636 11.404 -2.393) 16.468 3.952 ( 2.983 -4.067 1.849) 5.372 6.070 ( -5.693 1.061 0.357) 5.802 6.125 ( 0.066 -0.520 -0.108) 0.535 6.407 ( 4.337 0.027 -0.586) 4.377 6.703 ( -3.250 9.020 -0.218) 9.590 6.909 ( 0.229 -0.555 0.100) 0.609 7.935 ( 4.110 -5.161 0.139) 6.600======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( -9.176 -0.702 1.070) 9.264 2.366 ( -3.693 0.098 -0.860) 3.794 2.536 ( -1.334 2.043 -0.657) 2.527 2.621 ( -0.291 -2.877 1.997) 3.514 3.047 ( -8.809 6.007 -1.913) 10.833 3.919 ( -4.370 -2.253 0.816) 4.984 5.963 ( -6.817 -0.047 0.675) 6.850 6.085 ( -3.082 -0.889 -0.109) 3.209 6.447 ( -1.738 1.467 -0.632) 2.361 6.787 ( 3.658 6.948 -2.729) 8.313 6.924 ( 3.738 -2.693 1.916) 4.990 7.974 ( 5.024 -2.915 0.158) 5.811======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -11.333 -1.669 1.230) 11.520 2.240 ( -9.349 -1.339 -2.181) 9.694 2.503 ( -6.829 2.512 -0.794) 7.319 2.565 ( -2.263 -1.801 1.913) 3.467 3.025 ( 2.220 1.960 -0.453) 2.996 3.745 ( -13.868 -0.270 0.823) 13.895 5.827 ( -9.002 -0.101 1.029) 9.061 6.029 ( -1.588 -0.330 -0.758) 1.791 6.383 ( -4.873 -0.254 -0.808) 4.946 6.912 ( 3.964 4.002 -3.634) 6.704 7.021 ( 9.937 -2.831 2.888) 10.728 8.053 ( 5.986 -0.895 -0.855) 6.112======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -14.655 0.595 0.264) 14.669 1.996 ( -14.912 -2.364 -4.620) 15.789 2.369 ( -7.296 -0.691 0.481) 7.345 2.527 ( -3.651 2.239 0.222) 4.289 3.096 ( 2.378 -1.138 -3.034) 4.019 3.473 ( -17.337 4.327 5.724) 18.763 5.658 ( -9.992 0.213 1.004) 10.045 6.026 ( 1.731 -0.134 -1.141) 2.078 6.297 ( -2.996 -1.495 -0.593) 3.400 6.989 ( 2.624 1.878 -1.539) 3.575 7.207 ( 12.482 -2.507 1.735) 12.849 8.146 ( 5.845 -0.805 -3.309) 6.764======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 0.000 0.045 -5.810) 5.810 1.967 ( 0.000 13.504 -2.503) 13.734 2.000 ( -0.000 15.256 5.119) 16.092 2.488 ( 0.000 2.769 -4.640) 5.403 2.913 ( 0.000 3.819 -2.002) 4.312 3.438 ( -0.000 15.994 8.048) 17.904 5.546 ( -0.000 8.440 0.476) 8.454 6.080 ( 0.000 -1.410 -0.323) 1.446 6.240 ( 0.000 -0.334 -0.236) 0.409 6.752 ( 0.000 -2.630 -4.215) 4.969 7.359 ( -0.000 -12.146 1.226) 12.207 8.284 ( 0.000 -2.449 -3.662) 4.405======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -1.135 3.911 -4.644) 6.177 2.111 ( 2.564 6.703 -2.656) 7.652 2.219 ( 6.945 13.082 1.408) 14.878 2.507 ( 1.375 2.252 -4.326) 5.068 2.924 ( 0.645 -2.649 2.404) 3.635 3.665 ( 2.175 17.550 5.333) 18.471 5.677 ( 4.979 7.917 0.837) 9.390 6.053 ( -2.093 0.473 -1.035) 2.383 6.262 ( 1.945 1.320 -0.526) 2.408 6.717 ( 1.307 -4.601 -2.452) 5.375 7.228 ( -1.642 -10.734 0.374) 10.865 8.208 ( -4.578 -1.988 -2.961) 5.804======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( 3.313 5.709 -1.593) 6.790 2.199 ( 2.693 4.025 -3.411) 5.923 2.474 ( 5.350 8.481 2.400) 10.310 2.580 ( 5.795 5.468 -3.002) 8.514 2.910 ( 2.011 -4.719 3.264) 6.080 3.859 ( 0.550 12.052 1.889) 12.212 5.870 ( 6.824 7.149 1.547) 10.004 6.023 ( -1.917 2.404 -1.639) 3.484 6.321 ( 2.455 2.354 -1.559) 3.742 6.692 ( 2.499 -5.129 -1.219) 5.834 7.091 ( -2.673 -8.475 0.127) 8.888 8.081 ( -6.470 -1.328 -1.916) 6.877======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( 4.908 6.820 0.417) 8.413 2.275 ( 2.623 3.494 -2.181) 4.883 2.568 ( 1.572 1.872 1.007) 2.644 2.713 ( -0.448 1.342 1.500) 2.062 3.016 ( 11.930 3.840 0.988) 12.572 3.925 ( -3.079 4.696 -0.563) 5.643 6.003 ( 0.616 3.611 0.043) 3.663 6.073 ( 3.945 5.244 0.467) 6.579 6.357 ( -0.002 0.280 -2.604) 2.619 6.720 ( 5.217 -1.329 -0.640) 5.421 6.971 ( -2.856 -5.046 0.457) 5.816 7.955 ( -5.243 -1.623 -0.843) 5.553======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( 3.469 5.859 -0.063) 6.809 2.348 ( 1.411 4.486 -0.226) 4.708 2.601 ( 0.963 0.015 0.341) 1.022 2.646 ( -3.654 -5.029 1.620) 6.424 3.314 ( 9.662 11.598 0.244) 15.097 3.857 ( -4.207 -3.337 -0.870) 5.440 6.057 ( 1.795 3.482 -0.562) 3.958 6.173 ( 1.730 2.935 1.415) 3.689 6.313 ( -1.608 -3.018 -2.029) 3.976 6.815 ( 2.304 3.937 -0.946) 4.659 6.906 ( -0.449 -1.313 0.879) 1.643 7.864 ( -1.977 -3.058 -0.226) 3.648======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( -0.706 4.021 -0.775) 4.156 2.395 ( -2.307 3.980 0.760) 4.663 2.538 ( -0.425 -5.888 0.780) 5.955 2.607 ( 0.191 -0.798 0.017) 0.820 3.479 ( -9.220 12.704 -0.897) 15.723 3.792 ( 7.495 -8.156 0.564) 11.091 6.114 ( 1.113 1.086 -0.265) 1.578 6.175 ( -4.745 1.390 0.415) 4.962 6.300 ( 5.281 -2.025 -0.617) 5.690 6.845 ( -2.336 4.841 0.445) 5.393 6.912 ( -0.659 -0.099 -0.460) 0.810 7.831 ( 2.022 -2.977 -0.030) 3.599======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( -9.390 -0.408 0.365) 9.406 2.396 ( -0.434 0.030 -1.374) 1.441 2.548 ( 2.118 0.400 1.696) 2.743 2.600 ( -0.037 -0.404 0.207) 0.456 3.304 ( -14.376 1.269 0.130) 14.432 3.891 ( 5.161 -0.987 -0.460) 5.274 6.069 ( -5.420 -0.102 0.103) 5.422 6.128 ( -1.868 0.044 0.310) 1.894 6.402 ( 5.888 0.047 -1.308) 6.031 6.851 ( -3.682 0.179 -0.452) 3.714 6.864 ( 0.324 -0.014 0.682) 0.756 7.873 ( 4.263 -0.107 -0.131) 4.266======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.074 ( -9.769 -0.575 0.031) 9.786 2.340 ( -4.691 -1.153 -3.090) 5.734 2.583 ( -0.281 -2.021 3.663) 4.193 2.598 ( -1.300 3.220 -0.534) 3.513 3.081 ( -8.104 -2.763 1.486) 8.690 3.902 ( -3.826 0.830 -0.879) 4.012 5.965 ( -6.653 -0.209 0.788) 6.702 6.078 ( -3.507 0.446 -0.707) 3.605 6.434 ( -1.751 -1.707 -1.877) 3.083 6.829 ( 6.343 -4.954 0.677) 8.077 6.895 ( 1.353 1.790 -0.247) 2.257 7.964 ( 4.481 2.340 -0.767) 5.113======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -10.836 1.968 -1.549) 11.121 2.182 ( -10.191 -1.734 -5.178) 11.562 2.486 ( -7.140 -3.002 2.333) 8.089 2.606 ( -2.147 3.452 -0.433) 4.089 3.020 ( 2.617 -2.710 2.717) 4.645 3.783 ( -10.988 3.070 1.288) 11.481 5.824 ( -8.598 -1.078 1.107) 8.736 6.032 ( -2.093 1.405 -1.689) 3.035 6.340 ( -4.190 -2.428 -1.013) 4.947 6.933 ( 6.122 -4.315 4.064) 8.521 6.964 ( 8.838 -0.369 -4.051) 9.729 8.061 ( 3.739 2.556 -2.198) 5.034======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 0.000 0.531 -4.957) 4.985 2.091 ( 0.000 2.654 -10.750) 11.072 2.299 ( -0.000 10.967 3.426) 11.489 2.512 ( 0.000 3.170 -1.496) 3.506 2.905 ( -0.000 -3.425 5.471) 6.455 3.844 ( -0.000 16.667 4.075) 17.158 5.699 ( -0.000 5.835 0.474) 5.854 6.084 ( 0.000 2.256 -1.689) 2.818 6.259 ( 0.000 2.228 -0.240) 2.241 6.653 ( 0.000 -5.196 -0.345) 5.207 7.138 ( 0.000 -9.262 -0.938) 9.309 8.222 ( 0.000 -1.736 -2.274) 2.861======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 3.268 2.402 -2.526) 4.778 2.116 ( 5.000 -0.730 -8.902) 10.236 2.465 ( 6.358 8.896 1.780) 11.079 2.551 ( 0.829 3.176 -0.116) 3.284 2.876 ( -0.825 -4.156 5.369) 6.839 3.998 ( -0.853 12.042 1.846) 12.213 5.810 ( 6.178 4.479 0.518) 7.649 6.086 ( -2.107 3.517 -2.090) 4.602 6.303 ( 1.842 2.757 -0.528) 3.358 6.607 ( 0.938 -5.506 0.977) 5.671 7.040 ( -1.064 -6.993 -1.359) 7.203 8.163 ( -4.146 -1.038 -1.482) 4.523======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 6.394 4.691 0.555) 7.950 2.191 ( 6.700 -0.964 -4.923) 8.370 2.579 ( 0.180 2.158 1.071) 2.416 2.706 ( 7.215 5.366 -1.194) 9.071 2.850 ( 4.285 -3.345 4.684) 7.175 4.054 ( -4.053 6.335 -0.264) 7.525 5.983 ( 7.248 3.253 0.691) 7.974 6.083 ( -1.299 3.887 -1.611) 4.404 6.353 ( 0.778 1.515 -1.193) 2.079 6.599 ( 4.317 -3.991 1.240) 6.008 6.957 ( -1.350 -4.073 -0.921) 4.389 8.055 ( -6.465 -0.402 -0.713) 6.517======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( 5.266 3.282 0.273) 6.211 2.301 ( 6.778 0.912 -1.154) 6.935 2.596 ( 0.032 0.322 0.534) 0.624 2.691 ( -4.623 -2.303 0.616) 5.201 3.114 ( 18.095 2.914 1.193) 18.367 3.982 ( -8.290 1.691 -1.017) 8.522 6.078 ( 0.259 3.650 -0.496) 3.692 6.134 ( 3.875 -0.089 0.445) 3.901 6.339 ( -2.593 -0.049 -0.737) 2.696 6.708 ( 9.529 -0.404 0.164) 9.539 6.909 ( -0.844 -1.124 -0.046) 1.406 7.931 ( -6.658 -0.442 -0.213) 6.676======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.329 ( 3.544 0.625 0.346) 3.616 2.417 ( 5.180 -0.234 -0.451) 5.205 2.554 ( -6.243 -1.265 -0.256) 6.375 2.606 ( -0.717 -0.103 0.018) 0.724 3.459 ( 17.603 -0.604 0.331) 17.617 3.803 ( -12.287 0.964 -0.183) 12.327 6.107 ( 0.637 0.622 0.131) 0.900 6.193 ( 4.160 -1.623 -0.640) 4.511 6.276 ( -4.527 1.664 0.739) 4.880 6.865 ( 5.789 1.005 -0.744) 5.922 6.893 ( -0.170 -1.024 0.720) 1.263 7.830 ( -3.602 0.116 0.015) 3.604======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( -2.940 -5.556 0.129) 6.287 2.388 ( -0.258 -1.707 -0.021) 1.727 2.525 ( 0.382 4.077 -0.440) 4.119 2.606 ( 0.313 0.747 -0.019) 0.810 3.493 ( -7.892 -12.017 0.452) 14.384 3.782 ( 5.938 7.952 -0.304) 9.929 6.119 ( 0.596 -0.491 0.208) 0.800 6.169 ( -3.290 -2.287 -0.185) 4.011 6.308 ( 3.794 3.121 0.174) 4.916 6.840 ( -2.778 -4.835 -0.113) 5.577 6.918 ( -0.134 0.090 0.135) 0.210 7.831 ( 1.889 3.036 0.012) 3.575======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -6.418 -3.797 -0.161) 7.459 2.381 ( -1.600 -0.269 -1.343) 2.106 2.557 ( 1.312 -0.697 1.614) 2.193 2.636 ( 0.422 2.990 0.148) 3.023 3.202 ( -10.609 -10.242 1.409) 14.814 3.920 ( 2.483 3.296 -1.247) 4.311 6.070 ( -5.398 -1.157 0.243) 5.526 6.124 ( -0.665 0.224 -0.089) 0.707 6.401 ( 3.174 0.860 -1.182) 3.495 6.711 ( -1.548 -8.863 0.499) 9.011 6.907 ( -0.718 0.239 -0.097) 0.763 7.931 ( 3.724 5.168 -0.230) 6.375======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( -6.925 -0.293 -1.186) 7.032 2.301 ( -6.415 -0.023 -4.232) 7.685 2.552 ( -2.206 -2.767 2.804) 4.515 2.662 ( -0.775 2.383 -0.285) 2.522 2.983 ( -2.956 -6.934 3.234) 8.202 3.933 ( -3.369 2.220 -0.447) 4.060 5.941 ( -6.677 -3.278 0.710) 7.472 6.103 ( -3.234 3.055 -1.487) 4.691 6.382 ( -3.351 -1.645 -1.096) 3.890 6.695 ( 8.714 -7.945 1.412) 11.877 6.909 ( 1.262 0.090 -1.286) 1.804 8.042 ( 2.707 4.998 -0.729) 5.731======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 0.000 0.854 -2.027) 2.199 2.029 ( 0.000 -0.647 -6.920) 6.950 2.483 ( -0.000 5.564 1.191) 5.690 2.580 ( -0.000 2.630 0.790) 2.746 2.862 ( -0.000 -3.683 4.246) 5.621 4.120 ( -0.000 8.595 0.703) 8.623 5.784 ( -0.000 2.422 0.168) 2.428 6.142 ( 0.000 4.349 -2.275) 4.908 6.313 ( 0.000 2.599 -0.083) 2.600 6.548 ( -0.000 -5.429 1.938) 5.765 6.985 ( 0.000 -4.514 -1.707) 4.826 8.187 ( 0.000 -0.717 -0.924) 1.169======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( 7.202 1.850 0.402) 7.446 2.053 ( 4.055 0.444 -2.587) 4.830 2.593 ( 7.343 2.892 -0.144) 7.893 2.601 ( -0.167 1.121 0.712) 1.339 2.825 ( -1.346 -3.273 2.653) 4.423 4.165 ( -2.302 3.879 -0.818) 4.584 5.868 ( 6.877 1.218 0.042) 6.984 6.155 ( -2.326 3.665 -1.140) 4.488 6.350 ( 1.290 1.656 -0.179) 2.106 6.512 ( 1.333 -4.205 1.297) 4.598 6.941 ( -0.754 -1.767 -1.093) 2.210 8.145 ( -3.825 -0.140 -0.394) 3.848======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( 7.287 -1.991 -2.019) 7.819 2.187 ( 7.040 4.385 3.510) 9.006 2.600 ( -0.287 -0.517 0.119) 0.603 2.742 ( -1.482 0.225 -1.854) 2.384 2.828 ( 13.330 -2.102 2.339) 13.696 4.114 ( -5.208 0.060 -1.397) 5.392 6.014 ( 7.760 -0.391 -0.350) 7.778 6.135 ( -2.279 1.020 0.252) 2.510 6.373 ( -0.363 0.761 0.460) 0.961 6.548 ( 6.272 -0.864 0.041) 6.331 6.918 ( -0.865 0.478 -0.242) 1.017 8.052 ( -6.495 0.234 -0.041) 6.499======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 6.360 -3.430 -0.464) 7.241 2.329 ( 4.334 0.853 1.743) 4.749 2.584 ( -0.128 -1.256 -0.783) 1.486 2.669 ( -4.414 0.624 -1.482) 4.698 3.111 ( 18.123 -3.727 0.822) 18.521 3.988 ( -7.553 -0.795 -0.405) 7.606 6.085 ( 1.601 -3.902 -0.043) 4.218 6.123 ( 1.851 0.007 -0.408) 1.895 6.365 ( -2.275 2.137 1.834) 3.620 6.705 ( 10.177 0.399 -0.176) 10.186 6.910 ( -1.316 0.993 0.013) 1.649 7.935 ( -6.714 0.852 0.161) 6.770======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( 3.742 -7.623 -0.539) 8.509 2.364 ( 0.793 -2.290 1.491) 2.846 2.587 ( 1.047 1.814 -1.590) 2.630 2.612 ( -2.941 1.722 -1.404) 3.685 3.308 ( 9.906 -11.161 -0.297) 14.926 3.876 ( -4.561 3.261 1.055) 5.705 6.068 ( 1.937 -3.858 0.407) 4.336 6.144 ( 1.583 -2.538 -1.387) 3.297 6.361 ( -2.229 4.093 2.716) 5.395 6.836 ( 2.105 -3.485 1.080) 4.212 6.884 ( -0.211 0.940 -1.299) 1.617 7.869 ( -2.194 3.330 0.289) 3.998======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( -0.293 -7.655 -0.137) 7.662 2.364 ( 1.585 -2.593 2.115) 3.703 2.575 ( -2.450 1.556 -2.107) 3.587 2.639 ( 2.151 2.061 -0.503) 3.021 3.210 ( -3.885 -13.873 -0.340) 14.411 3.912 ( 2.101 3.728 0.426) 4.300 6.072 ( 1.763 -4.670 -0.210) 4.996 6.124 ( 0.174 -1.292 -0.060) 1.305 6.387 ( 0.241 2.729 1.639) 3.193 6.715 ( -6.983 -5.311 -0.354) 8.780 6.906 ( 0.477 -0.752 0.039) 0.892 7.929 ( 2.780 5.663 0.200) 6.312======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -2.238 -3.877 -0.000) 4.477 2.365 ( -0.655 -1.134 -0.000) 1.310 2.546 ( -0.630 -1.092 -0.000) 1.260 2.681 ( 0.451 0.782 -0.000) 0.903 2.984 ( -5.524 -9.568 -0.000) 11.048 3.969 ( 0.813 1.409 -0.000) 1.626 5.987 ( -3.660 -6.339 -0.000) 7.319 6.157 ( 1.379 2.389 -0.000) 2.759 6.418 ( 0.098 0.169 -0.000) 0.195 6.547 ( -3.322 -5.753 -0.000) 6.643 6.898 ( -0.232 -0.402 -0.000) 0.464 8.045 ( 3.108 5.383 -0.000) 6.215======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( -0.000 1.029 1.061) 1.478 2.044 ( -0.000 3.758 3.168) 4.915 2.537 ( 0.000 -0.586 -0.651) 0.876 2.608 ( -0.000 -0.371 0.432) 0.569 2.815 ( -0.000 -2.135 0.332) 2.160 4.199 ( 0.000 -0.495 -2.048) 2.107 5.808 ( 0.000 -0.073 -0.066) 0.098 6.211 ( -0.000 1.757 0.620) 1.863 6.343 ( 0.000 0.023 -0.031) 0.038 6.472 ( 0.000 -1.460 -0.171) 1.470 6.941 ( 0.000 0.828 -0.493) 0.963 8.179 ( 0.000 0.289 -0.083) 0.301======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 4.776 -0.322 1.040) 4.898 2.152 ( 4.310 5.417 6.841) 9.732 2.574 ( 4.669 -3.561 -1.589) 6.083 2.607 ( 3.464 -1.416 0.907) 3.851 2.782 ( -1.660 -1.026 -1.687) 2.580 4.146 ( -1.850 -4.602 -2.699) 5.646 5.864 ( 6.645 -1.519 -0.345) 6.825 6.182 ( -2.737 -1.993 1.507) 3.706 6.357 ( 1.812 -1.410 0.455) 2.340 6.492 ( 1.637 3.377 -0.644) 3.808 6.952 ( -0.910 2.945 0.037) 3.083 8.150 ( -3.847 0.745 0.109) 3.920======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 5.286 -2.996 0.449) 6.093 2.283 ( 3.358 1.318 4.554) 5.810 2.556 ( 0.540 -3.458 -1.561) 3.833 2.722 ( -0.459 -2.899 -0.779) 3.036 2.788 ( 12.631 0.306 -0.029) 12.635 4.037 ( -2.672 -6.591 -1.883) 7.357 5.963 ( 6.590 -4.010 -1.265) 7.817 6.112 ( -1.802 -3.373 1.289) 4.035 6.381 ( 2.211 -1.080 1.468) 2.865 6.592 ( 4.536 5.240 0.693) 6.965 6.965 ( -1.909 4.067 -0.111) 4.495 8.065 ( -6.526 1.111 0.255) 6.625======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 3.917 -7.435 -1.086) 8.474 2.323 ( 1.510 -3.387 2.889) 4.700 2.547 ( 2.383 -1.577 -1.116) 3.067 2.669 ( -2.052 -0.695 -2.825) 3.560 3.017 ( 12.327 -4.002 1.067) 13.004 3.929 ( -1.609 -5.305 -0.191) 5.547 5.986 ( 2.598 -5.244 -1.474) 6.035 6.076 ( 1.361 -3.823 0.604) 4.103 6.412 ( 0.904 -0.369 2.807) 2.972 6.743 ( 5.703 3.692 1.808) 7.030 6.955 ( -3.955 3.842 -1.273) 5.659 7.969 ( -5.463 2.407 0.573) 5.997======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 3.636 -9.175 -0.733) 9.896 2.308 ( 1.318 -5.337 3.502) 6.518 2.594 ( 2.823 -0.410 0.210) 2.860 2.619 ( -0.922 -0.758 -3.822) 4.003 3.093 ( 2.589 -7.683 -0.909) 8.158 3.894 ( 2.151 -2.440 0.633) 3.313 5.974 ( 2.812 -5.429 -1.151) 6.222 6.071 ( 2.183 -3.609 0.741) 4.283 6.412 ( -0.515 -1.902 2.599) 3.262 6.822 ( -3.981 2.920 1.856) 5.274 6.903 ( -2.194 1.850 -1.818) 3.397 7.957 ( -0.091 4.615 0.854) 4.694======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -0.000 0.930 3.132) 3.267 2.197 ( -0.000 5.183 9.763) 11.053 2.452 ( 0.000 -6.779 -1.997) 7.067 2.578 ( -0.000 -2.131 0.836) 2.289 2.784 ( 0.000 0.346 -3.691) 3.707 4.076 ( 0.000 -9.698 -3.789) 10.412 5.780 ( 0.000 -2.622 -0.243) 2.633 6.180 ( -0.000 -4.568 1.472) 4.799 6.314 ( -0.000 -2.477 0.034) 2.477 6.533 ( -0.000 6.721 0.435) 6.735 7.003 ( -0.000 5.102 0.190) 5.106 8.198 ( -0.000 1.495 0.122) 1.500======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 1.443 -0.944 2.364) 2.926 2.261 ( 1.090 -1.688 5.088) 5.471 2.429 ( 5.878 -9.118 -2.058) 11.042 2.594 ( 3.138 -0.714 5.089) 6.022 2.780 ( -0.285 3.947 -4.301) 5.844 3.944 ( 0.297 -13.214 -3.595) 13.698 5.798 ( 5.529 -4.767 -0.664) 7.331 6.114 ( -2.046 -4.095 0.751) 4.639 6.311 ( 2.506 -2.675 0.190) 3.670 6.624 ( 1.283 7.633 2.674) 8.189 7.051 ( -1.484 6.626 -0.215) 6.794 8.179 ( -4.126 2.042 0.112) 4.604======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 0.723 -6.791 -1.137) 6.923 2.249 ( 2.058 -7.103 2.104) 7.689 2.439 ( 5.863 -6.554 -1.199) 8.875 2.627 ( 1.442 -4.882 1.009) 5.189 2.885 ( 4.870 7.504 1.303) 9.040 3.817 ( 2.513 -13.764 -2.359) 14.189 5.838 ( 5.689 -7.246 -1.640) 9.358 6.048 ( -1.446 -2.722 0.914) 3.215 6.346 ( 3.864 -2.631 0.904) 4.762 6.746 ( 2.507 7.276 4.249) 8.791 7.077 ( -3.626 7.257 -1.417) 8.236 8.105 ( -6.399 2.672 0.517) 6.954======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( 2.835 -10.718 -2.112) 11.286 2.213 ( 2.626 -9.296 3.332) 10.218 2.496 ( 5.995 -4.334 0.458) 7.411 2.584 ( 0.168 -4.095 -1.911) 4.522 3.019 ( 2.282 3.096 0.720) 3.913 3.756 ( 5.943 -11.193 -1.465) 12.758 5.841 ( 4.361 -7.935 -1.869) 9.246 6.019 ( 0.273 -1.711 1.354) 2.198 6.372 ( 1.856 -4.082 1.507) 4.731 6.873 ( 2.215 5.890 4.372) 7.662 7.050 ( -7.189 6.947 -3.034) 10.447 8.041 ( -4.153 3.966 1.541) 5.946======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( -0.000 -0.540 1.668) 1.753 2.220 ( -0.000 -8.292 1.482) 8.423 2.248 ( 0.000 -11.259 -1.043) 11.307 2.588 ( -0.000 -0.795 5.978) 6.030 2.826 ( 0.000 7.670 -1.582) 7.831 3.759 ( 0.000 -18.605 -4.366) 19.111 5.692 ( 0.000 -5.928 -0.269) 5.934 6.097 ( 0.000 -3.040 -0.262) 3.051 6.262 ( -0.000 -2.138 0.092) 2.140 6.701 ( -0.000 7.421 4.426) 8.641 7.142 ( 0.000 8.399 -0.547) 8.417 8.243 ( 0.000 2.965 -0.225) 2.974======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( -3.120 -8.494 -4.028) 9.905 2.115 ( 1.926 -12.027 -0.310) 12.184 2.234 ( 7.335 -7.461 1.740) 10.606 2.578 ( 0.151 -4.238 2.143) 4.752 2.939 ( 1.280 10.214 4.211) 11.122 3.568 ( 3.476 -20.899 -4.230) 21.604 5.663 ( 4.187 -7.835 -0.550) 8.901 6.061 ( -1.467 -0.828 -0.160) 1.693 6.268 ( 2.370 -1.361 0.087) 2.734 6.800 ( 1.295 6.347 5.814) 8.704 7.212 ( -2.246 9.450 -1.406) 9.814 8.236 ( -4.242 3.555 -0.153) 5.537======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -0.219 -14.444 -5.611) 15.497 2.043 ( 4.149 -13.399 1.659) 14.124 2.321 ( 7.686 -4.937 2.262) 9.411 2.534 ( 0.384 -4.774 -0.525) 4.818 3.063 ( 0.333 6.300 5.301) 8.240 3.455 ( 8.739 -18.413 -4.799) 20.938 5.659 ( 5.211 -8.970 -1.077) 10.429 6.034 ( -1.655 1.017 0.586) 2.029 6.300 ( 2.414 -2.023 0.413) 3.176 6.908 ( 2.075 4.990 5.372) 7.620 7.239 ( -5.281 9.730 -2.542) 11.359 8.182 ( -5.872 4.197 1.162) 7.311======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( 0.000 -14.395 -8.294) 16.614 1.941 ( 0.000 -16.555 -5.246) 17.366 2.118 ( -0.000 -2.399 7.040) 7.437 2.524 ( -0.000 -7.238 0.524) 7.257 3.050 ( -0.000 7.261 10.095) 12.435 3.286 ( 0.000 -21.843 -6.959) 22.924 5.543 ( -0.000 -8.231 0.120) 8.232 6.076 ( 0.000 1.464 -0.644) 1.599 6.242 ( 0.000 0.218 -0.093) 0.237 6.864 ( -0.000 4.461 7.022) 8.319 7.332 ( 0.000 10.749 -1.638) 10.873 8.313 ( 0.000 4.112 -0.865) 4.202======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -3.404 -18.875 -9.524) 21.414 1.808 ( 5.202 -16.942 -2.745) 17.934 2.175 ( 5.255 -2.010 5.033) 7.549 2.447 ( 1.676 -9.432 -0.684) 9.604 3.014 ( 4.693 -24.204 5.658) 25.295 3.222 ( 0.946 7.503 -2.525) 7.973 5.489 ( 3.295 -8.567 0.001) 9.179 6.088 ( -1.385 3.466 -0.093) 3.733 6.261 ( 1.179 0.628 -0.140) 1.343 6.935 ( 1.383 2.697 6.855) 7.495 7.413 ( -3.027 11.166 -2.164) 11.770 8.317 ( -3.824 4.338 -0.322) 5.792======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 0.000 -19.697 -9.620) 21.921 1.508 ( 0.000 -21.103 -8.788) 22.860 2.135 ( -0.000 -0.667 5.622) 5.661 2.273 ( -0.000 -20.098 0.929) 20.120 2.714 ( -0.000 -23.209 0.095) 23.210 3.323 ( -0.000 9.165 3.183) 9.702 5.377 ( -0.000 -7.863 0.642) 7.889 6.145 ( 0.000 5.148 -0.076) 5.149 6.267 ( 0.000 2.182 -0.348) 2.209 6.961 ( -0.000 0.509 7.887) 7.903 7.553 ( 0.000 11.737 -1.999) 11.906 8.392 ( 0.000 4.015 -1.407) 4.254======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.451 ( -0.000 0.000 23.176) 23.176 0.451 ( -0.000 0.000 23.176) 23.176 0.778 ( -0.000 0.000 40.497) 40.497 2.105 ( 0.000 -0.000 -4.036) 4.036 2.105 ( 0.000 -0.000 -4.036) 4.036 3.975 ( 0.000 -0.000 -11.045) 11.045 5.126 ( 0.000 -0.000 -0.063) 0.063 5.126 ( 0.000 -0.000 -0.063) 0.063 6.389 ( -0.000 0.000 0.134) 0.134 6.389 ( -0.000 0.000 0.134) 0.134 8.084 ( -0.000 0.000 2.754) 2.754 8.493 ( 0.000 -0.000 -1.109) 1.109======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( 8.973 5.181 15.220) 18.412 0.688 ( 7.561 4.366 22.298) 23.946 1.296 ( 27.607 15.939 24.151) 39.994 2.120 ( 3.469 2.003 -5.699) 6.965 2.125 ( 1.660 0.959 -3.340) 3.851 3.585 ( -8.414 -4.858 -2.548) 10.045 5.165 ( 2.879 1.662 0.214) 3.332 6.244 ( 38.791 22.396 -37.959) 58.712 6.358 ( -2.763 -1.595 0.020) 3.190 6.364 ( -1.843 -1.064 0.009) 2.128 8.040 ( -5.152 -2.974 4.046) 7.194 8.427 ( -3.755 -2.168 -1.995) 4.773======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( 14.507 8.376 6.706) 18.044 0.967 ( 11.059 6.385 12.142) 17.622 2.031 ( 28.293 16.335 10.981) 34.466 2.162 ( 2.260 1.305 -2.473) 3.595 2.222 ( 6.453 3.726 -4.063) 8.487 3.461 ( -2.398 -1.384 -4.479) 5.266 5.261 ( 5.174 2.987 0.365) 5.986 6.259 ( -5.223 -3.015 -0.460) 6.048 6.309 ( -2.601 -1.502 -0.096) 3.005 6.738 ( 15.480 8.938 -18.032) 25.391 7.876 ( -9.639 -5.565 6.042) 12.664 8.314 ( -4.942 -2.853 -5.906) 8.212======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( 14.856 8.577 2.139) 17.287 1.269 ( 12.384 7.150 2.590) 14.533 2.217 ( 2.897 1.672 -1.362) 3.612 2.355 ( 7.300 4.215 -7.465) 11.260 2.674 ( 21.206 12.243 7.299) 25.551 3.441 ( 1.809 1.045 0.168) 2.096 5.406 ( 6.761 3.904 0.449) 7.820 6.127 ( -5.328 -3.076 -0.707) 6.193 6.252 ( -1.947 -1.124 -0.193) 2.257 6.950 ( 6.363 3.674 -8.308) 11.091 7.635 ( -12.400 -7.159 5.757) 15.432 8.174 ( -4.403 -2.542 -7.025) 8.672======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 12.540 7.240 -3.408) 14.876 1.575 ( 12.374 7.144 -0.745) 14.308 2.291 ( 3.589 2.072 0.015) 4.145 2.496 ( 6.087 3.514 -4.372) 8.277 3.019 ( 6.561 3.788 0.478) 7.591 3.582 ( 9.191 5.306 5.647) 12.021 5.569 ( 6.642 3.835 0.493) 7.685 6.028 ( -2.462 -1.421 -0.872) 2.973 6.227 ( 0.024 0.014 -0.254) 0.256 6.996 ( -0.135 -0.078 -5.510) 5.512 7.327 ( -14.668 -8.469 3.200) 17.237 8.096 ( -0.526 -0.304 -3.903) 3.950======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 8.325 4.807 -2.534) 9.941 1.836 ( 11.879 6.858 -6.193) 15.050 2.382 ( 3.782 2.183 1.307) 4.558 2.606 ( 4.018 2.320 -2.664) 5.350 3.053 ( -2.319 -1.339 1.442) 3.041 3.824 ( 8.336 4.813 4.780) 10.748 5.705 ( 4.504 2.600 0.417) 5.217 6.020 ( 2.140 1.235 -1.142) 2.722 6.254 ( 2.172 1.254 -0.191) 2.515 6.934 ( -4.644 -2.681 -6.777) 8.642 6.994 ( -12.136 -7.006 3.912) 14.549 8.109 ( 1.728 0.997 -0.884) 2.182======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 4.610 2.662 -3.004) 6.113 2.080 ( 10.528 6.078 -7.209) 14.133 2.462 ( 2.179 1.258 1.869) 3.134 2.659 ( 0.976 0.564 -1.877) 2.190 2.962 ( -5.216 -3.012 1.584) 6.228 3.981 ( 3.768 2.176 4.426) 6.207 5.781 ( 1.950 1.126 0.243) 2.264 6.117 ( 6.175 3.565 -1.487) 7.283 6.311 ( 2.233 1.289 -0.035) 2.579 6.662 ( -11.644 -6.723 -0.486) 13.454 6.903 ( -1.129 -0.652 -0.387) 1.360 8.149 ( 1.404 0.811 0.066) 1.623======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 1.937 1.119 -2.309) 3.215 2.277 ( 7.227 4.173 -5.626) 10.064 2.481 ( -1.262 -0.729 1.593) 2.159 2.646 ( -0.915 -0.529 -1.170) 1.577 2.844 ( -4.439 -2.563 -0.944) 5.211 4.030 ( -0.896 -0.517 4.673) 4.786 5.803 ( -0.114 -0.066 0.118) 0.176 6.262 ( 3.531 2.038 -1.445) 4.325 6.340 ( 0.036 0.021 0.054) 0.068 6.454 ( -3.185 -1.839 0.577) 3.723 6.907 ( 1.452 0.838 0.747) 1.835 8.170 ( 0.420 0.243 0.306) 0.574======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -0.649 -0.375 -0.361) 0.832 2.322 ( -3.778 -2.181 2.714) 5.138 2.410 ( -4.873 -2.813 0.260) 5.633 2.685 ( 5.160 2.979 -2.601) 6.502 2.753 ( -1.957 -1.130 -5.336) 5.795 3.954 ( -7.044 -4.067 3.512) 8.859 5.776 ( -2.285 -1.319 0.034) 2.639 6.182 ( -5.782 -3.338 1.202) 6.784 6.314 ( -2.070 -1.195 0.069) 2.391 6.589 ( 9.956 5.748 -2.958) 11.870 6.977 ( 4.114 2.375 1.936) 5.130 8.179 ( 0.437 0.252 1.222) 1.322======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -5.869 -3.389 4.014) 7.877 2.157 ( -10.713 -6.185 7.115) 14.270 2.276 ( -5.200 -3.002 -3.281) 6.842 2.653 ( -3.964 -2.289 -0.611) 4.618 2.889 ( 10.366 5.985 -6.831) 13.781 3.703 ( -15.038 -8.682 0.965) 17.391 5.691 ( -4.979 -2.874 -0.134) 5.750 6.080 ( -2.790 -1.611 1.415) 3.518 6.262 ( -1.898 -1.096 0.120) 2.195 6.801 ( 8.385 4.841 -5.757) 11.264 7.115 ( 7.005 4.044 2.428) 8.445 8.212 ( 2.034 1.175 2.836) 3.683======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( -13.414 -7.744 7.833) 17.357 1.876 ( -15.061 -8.695 8.435) 19.328 2.179 ( -1.865 -1.077 -5.849) 6.233 2.531 ( -6.683 -3.858 -1.092) 7.794 3.116 ( 9.131 5.272 -1.251) 10.617 3.257 ( -21.548 -12.441 -3.347) 25.105 5.545 ( -6.984 -4.032 -0.417) 8.075 6.068 ( 1.505 0.869 0.890) 1.952 6.240 ( 0.118 0.068 0.248) 0.283 6.930 ( 4.215 2.434 -6.978) 8.508 7.316 ( 9.254 5.343 1.813) 10.839 8.293 ( 3.772 2.178 3.309) 5.470======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( -0.000 18.679 13.113) 22.822 0.847 ( -0.000 15.934 17.945) 23.999 1.277 ( -0.000 21.516 29.720) 36.691 2.049 ( 0.000 -1.008 -6.253) 6.334 2.163 ( 0.000 6.712 -4.406) 8.029 3.572 ( 0.000 -10.960 -4.084) 11.697 5.145 ( 0.000 2.514 -0.228) 2.524 6.121 ( 0.000 42.940 -32.362) 53.769 6.357 ( 0.000 -1.670 -1.048) 1.971 6.373 ( -0.000 -1.753 0.215) 1.766 8.049 ( -0.000 -6.245 4.067) 7.453 8.438 ( 0.000 -2.425 -2.426) 3.430======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 0.083 22.150 7.515) 23.390 1.028 ( -0.054 14.399 18.566) 23.495 1.813 ( 19.715 20.724 14.384) 32.017 2.074 ( 6.018 0.641 -3.325) 6.906 2.228 ( 0.394 8.160 -5.275) 9.725 3.449 ( -1.536 -4.721 -5.925) 7.730 5.216 ( 3.771 3.848 0.071) 5.388 6.282 ( -1.866 -4.561 -0.887) 5.007 6.334 ( -1.799 -1.919 0.127) 2.634 6.540 ( 12.575 18.989 -21.106) 31.051 7.941 ( -4.443 -9.441 5.363) 11.731 8.364 ( -4.494 -1.670 -4.857) 6.825======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 2.668 16.286 12.726) 20.840 1.271 ( 5.027 17.191 2.477) 18.081 2.122 ( 7.768 1.265 -6.166) 9.998 2.311 ( 2.011 7.675 -6.101) 10.009 2.484 ( 19.826 17.124 10.168) 28.101 3.401 ( 1.724 -1.501 -2.951) 3.732 5.349 ( 5.484 5.625 0.377) 7.865 6.170 ( -4.209 -4.862 -0.708) 6.470 6.281 ( -2.148 -1.079 -0.034) 2.404 6.818 ( 9.620 6.499 -11.060) 16.034 7.746 ( -7.917 -10.507 5.943) 14.436 8.226 ( -6.369 -1.793 -6.675) 9.398======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( 5.755 11.514 6.224) 14.298 1.554 ( 6.418 16.858 -1.691) 18.118 2.249 ( 5.353 3.437 -2.341) 6.779 2.421 ( 4.701 5.376 -5.043) 8.743 2.924 ( 10.908 8.442 1.415) 13.866 3.490 ( 7.888 3.418 3.341) 9.224 5.518 ( 5.867 7.011 0.621) 9.163 6.053 ( -3.369 -3.428 -0.762) 4.866 6.245 ( -1.377 0.649 -0.276) 1.547 6.941 ( 3.851 -0.097 -6.851) 7.860 7.484 ( -11.679 -10.225 4.392) 16.132 8.099 ( -3.073 -1.376 -4.883) 5.932======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 7.441 8.971 1.056) 11.703 1.808 ( 5.257 13.652 -3.447) 15.030 2.369 ( 3.382 5.848 -0.067) 6.756 2.541 ( 4.985 3.101 -3.015) 6.600 3.060 ( 1.226 0.241 -0.150) 1.258 3.728 ( 9.906 5.508 4.380) 12.151 5.686 ( 4.086 7.366 0.751) 8.457 5.996 ( 0.185 -0.984 -0.860) 1.320 6.250 ( 0.364 2.357 -0.395) 2.417 6.927 ( -0.678 -2.922 -6.259) 6.941 7.166 ( -13.786 -8.412 2.830) 16.396 8.069 ( 1.717 -1.249 -1.380) 2.532======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 5.487 6.414 -0.945) 8.494 2.005 ( 5.220 10.736 -5.395) 13.101 2.480 ( 1.410 6.525 1.394) 6.820 2.628 ( 2.855 1.335 -2.102) 3.789 3.020 ( -3.823 -2.316 0.534) 4.502 3.929 ( 6.355 2.733 3.827) 7.906 5.805 ( 0.764 6.895 0.631) 6.966 6.038 ( 4.561 1.228 -1.072) 4.843 6.298 ( 1.702 2.911 -0.275) 3.383 6.790 ( -9.463 -5.949 -4.283) 11.970 6.930 ( -4.516 -2.366 1.953) 5.460 8.100 ( 3.224 -1.880 0.099) 3.734======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 1.589 4.497 -1.895) 5.132 2.188 ( 6.447 7.731 -6.029) 11.734 2.543 ( -1.951 4.721 2.138) 5.537 2.654 ( -0.063 0.500 -1.548) 1.628 2.906 ( -5.701 -2.358 -0.722) 6.211 4.033 ( 2.264 0.038 4.547) 5.079 5.859 ( -2.219 6.026 0.382) 6.433 6.158 ( 6.880 1.016 -1.199) 7.057 6.355 ( 1.370 2.979 -0.315) 3.294 6.550 ( -9.322 -3.585 -0.229) 9.991 6.896 ( 0.301 -0.031 0.504) 0.588 8.131 ( 2.647 -2.652 0.222) 3.753======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -0.678 2.287 -1.513) 2.825 2.324 ( 2.958 2.858 -3.454) 5.371 2.511 ( -5.620 1.141 2.342) 6.194 2.657 ( 0.286 3.543 -2.007) 4.082 2.787 ( -4.638 -1.454 -2.742) 5.581 4.030 ( -3.288 -2.333 4.429) 5.990 5.854 ( -4.499 4.347 0.271) 6.261 6.207 ( -0.799 -4.309 -0.012) 4.382 6.366 ( -3.749 0.907 -0.035) 3.857 6.502 ( 5.365 5.756 -1.306) 7.976 6.933 ( 3.023 0.891 1.214) 3.378 8.144 ( 2.233 -2.985 0.527) 3.765======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( -3.082 -1.752 0.883) 3.653 2.289 ( -6.425 -2.126 2.182) 7.111 2.395 ( -8.639 0.713 0.518) 8.684 2.686 ( -3.076 -2.784 -0.354) 4.164 2.775 ( 6.733 7.737 -6.877) 12.349 3.879 ( -11.308 -5.049 2.887) 12.716 5.788 ( -6.619 1.800 0.280) 6.866 6.113 ( -3.313 -3.579 0.845) 4.949 6.311 ( -3.578 0.976 0.168) 3.713 6.695 ( 8.211 6.425 -4.449) 11.336 7.031 ( 6.197 1.558 1.972) 6.687 8.165 ( 3.290 -2.431 1.515) 4.363======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -8.773 -8.276 6.040) 13.488 2.099 ( -12.554 -3.243 3.354) 13.392 2.257 ( -7.545 2.869 -3.191) 8.679 2.591 ( -4.380 -3.037 -0.772) 5.386 2.986 ( 9.830 6.570 -5.185) 12.910 3.539 ( -20.466 -7.555 1.739) 21.885 5.659 ( -8.585 -0.558 0.195) 8.605 6.057 ( -0.133 -1.296 0.668) 1.464 6.268 ( -2.421 1.435 0.111) 2.817 6.858 ( 5.462 4.395 -6.344) 9.454 7.196 ( 9.281 2.450 2.049) 9.816 8.226 ( 5.136 -1.378 1.949) 5.664======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -0.000 21.062 7.043) 22.208 1.285 ( -0.000 17.165 12.464) 21.213 1.939 ( -0.000 26.862 18.965) 32.882 1.989 ( 0.000 -0.594 -7.357) 7.381 2.298 ( 0.000 9.368 -7.118) 11.765 3.389 ( 0.000 -4.984 -5.765) 7.621 5.228 ( 0.000 5.672 0.002) 5.672 6.246 ( 0.000 -4.799 -0.542) 4.830 6.326 ( -0.000 -2.812 0.087) 2.814 6.570 ( 0.000 17.061 -16.504) 23.737 7.884 ( -0.000 -12.147 5.004) 13.137 8.377 ( 0.000 -1.397 -5.544) 5.718======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -0.091 18.894 2.464) 19.054 1.472 ( -2.483 18.219 13.441) 22.776 1.996 ( 4.934 1.909 -7.888) 9.498 2.339 ( 3.416 7.651 3.437) 9.056 2.430 ( 10.068 22.529 -0.028) 24.676 3.342 ( 1.303 -2.277 -2.613) 3.702 5.330 ( 3.827 7.106 0.366) 8.080 6.173 ( -2.260 -5.199 -0.421) 5.684 6.291 ( -0.663 -2.096 -0.033) 2.199 6.719 ( 5.608 8.228 -10.228) 14.275 7.738 ( -3.253 -13.105 4.840) 14.344 8.297 ( -4.963 -1.459 -6.358) 8.196======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -0.604 13.626 3.517) 14.085 1.682 ( 0.720 19.231 5.967) 20.148 2.142 ( 9.179 4.471 -5.100) 11.413 2.415 ( 1.513 5.676 -4.802) 7.587 2.841 ( 10.186 12.498 0.484) 16.131 3.406 ( 6.111 3.591 3.164) 7.762 5.500 ( 5.691 8.674 0.857) 10.409 6.071 ( -3.251 -4.065 -0.663) 5.247 6.268 ( -0.506 -0.037 -0.419) 0.658 6.837 ( 5.014 0.628 -6.326) 8.097 7.539 ( -6.103 -12.520 4.269) 14.568 8.155 ( -6.324 -1.403 -5.699) 8.628======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 2.228 11.506 2.614) 12.007 1.896 ( 1.472 15.703 1.050) 15.806 2.345 ( 7.414 7.378 -1.686) 10.595 2.496 ( 3.113 4.466 -2.992) 6.212 3.019 ( 3.795 1.478 -1.730) 4.425 3.631 ( 9.201 7.434 4.047) 12.502 5.698 ( 5.203 9.649 1.298) 11.039 5.991 ( -1.584 -1.898 -0.790) 2.595 6.273 ( 0.040 2.281 -0.904) 2.454 6.864 ( 1.871 -3.277 -5.368) 6.562 7.294 ( -9.555 -10.195 2.880) 14.267 8.044 ( -2.272 -1.838 -2.797) 4.046======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( 3.435 9.974 2.102) 10.756 2.055 ( 1.250 11.555 -2.340) 11.856 2.524 ( 3.637 7.809 0.494) 8.628 2.587 ( 2.984 3.652 -1.354) 4.907 3.044 ( -0.334 -0.766 -0.882) 1.215 3.846 ( 7.099 3.667 2.355) 8.330 5.869 ( 2.359 9.140 1.567) 9.568 5.985 ( 2.065 0.750 -0.989) 2.410 6.307 ( 0.762 3.176 -1.093) 3.445 6.815 ( -1.615 -3.758 -5.224) 6.635 7.037 ( -9.690 -5.795 2.512) 11.567 8.017 ( 2.207 -3.212 -0.398) 3.917======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 0.997 7.993 1.013) 8.118 2.179 ( 2.607 8.677 -3.852) 9.845 2.609 ( 0.384 1.579 0.355) 1.663 2.665 ( 0.538 4.532 0.826) 4.638 2.998 ( -4.955 2.556 -2.051) 5.940 3.975 ( 5.024 -0.482 2.864) 5.803 5.971 ( -0.833 7.557 1.105) 7.683 6.063 ( 4.567 2.261 -0.884) 5.172 6.351 ( 1.562 1.979 -0.896) 2.676 6.678 ( -8.120 -2.071 -2.162) 8.654 6.908 ( -2.080 -0.790 1.086) 2.476 8.034 ( 3.704 -4.561 0.170) 5.878======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( -2.276 5.576 -0.271) 6.029 2.296 ( 3.177 5.562 -3.757) 7.426 2.589 ( -2.573 -1.304 1.474) 3.240 2.690 ( -0.296 0.170 1.024) 1.079 2.922 ( -8.540 8.010 -3.603) 12.250 4.033 ( 1.829 -2.678 3.584) 4.833 5.997 ( -4.472 5.969 0.639) 7.486 6.149 ( 3.154 -1.107 -0.535) 3.386 6.398 ( 1.984 1.011 -1.099) 2.484 6.549 ( -5.244 4.397 0.031) 6.843 6.906 ( 0.981 0.485 0.492) 1.200 8.049 ( 3.622 -5.246 0.171) 6.377======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( -4.724 1.463 0.027) 4.946 2.349 ( -1.103 1.385 -1.966) 2.646 2.522 ( -4.130 -0.551 1.513) 4.432 2.685 ( 0.446 -2.483 1.735) 3.062 2.850 ( -7.331 10.474 -4.994) 13.725 3.990 ( -4.645 -3.711 2.843) 6.590 5.942 ( -6.910 2.966 0.812) 7.564 6.126 ( -2.070 -3.260 -0.088) 3.863 6.398 ( -3.189 2.466 -0.249) 4.039 6.625 ( 5.268 7.295 -2.598) 9.366 6.952 ( 3.884 0.056 1.203) 4.066 8.063 ( 4.073 -4.872 0.477) 6.368======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( -7.517 -3.865 2.471) 8.806 2.263 ( -8.005 -1.323 -0.624) 8.138 2.433 ( -7.653 2.719 -0.051) 8.121 2.628 ( -3.593 -2.826 0.573) 4.607 2.909 ( 4.144 7.942 -3.686) 9.687 3.796 ( -13.733 -4.114 1.946) 14.467 5.825 ( -8.918 0.945 1.147) 9.041 6.054 ( -1.817 -2.285 -0.260) 2.931 6.352 ( -4.498 2.468 -0.332) 5.141 6.790 ( 5.959 5.915 -5.062) 9.804 7.060 ( 7.880 -0.076 2.195) 8.181 8.106 ( 5.580 -3.678 0.462) 6.699======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( -0.000 17.879 2.088) 18.000 1.690 ( -0.000 16.331 6.027) 17.407 1.940 ( 0.000 0.144 -5.436) 5.438 2.390 ( 0.000 5.601 -3.015) 6.360 2.584 ( -0.000 24.433 2.017) 24.516 3.314 ( -0.000 0.576 1.357) 1.474 5.373 ( -0.000 8.187 0.431) 8.199 6.143 ( 0.000 -4.530 -0.185) 4.534 6.270 ( 0.000 -2.377 -0.173) 2.383 6.718 ( 0.000 5.351 -7.003) 8.813 7.638 ( -0.000 -14.098 3.655) 14.564 8.309 ( 0.000 -1.525 -6.294) 6.477======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -2.760 11.872 -3.971) 12.819 1.898 ( -0.020 15.947 9.499) 18.562 2.009 ( 8.475 4.575 -6.020) 11.358 2.428 ( 0.925 4.148 -6.353) 7.643 2.843 ( 4.235 12.689 0.484) 13.386 3.393 ( 3.238 8.442 5.897) 10.795 5.502 ( 4.269 8.983 0.761) 9.975 6.080 ( -2.222 -3.287 -0.596) 4.012 6.257 ( 0.773 -0.909 -0.408) 1.261 6.758 ( 2.521 0.377 -4.092) 4.821 7.485 ( -2.201 -13.666 2.703) 14.103 8.229 ( -4.807 -1.377 -5.676) 7.565======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 1.055 9.235 -2.537) 9.635 2.048 ( -0.244 11.141 3.766) 11.763 2.262 ( 10.496 10.232 -1.436) 14.728 2.483 ( 2.577 4.118 -4.260) 6.461 2.965 ( 2.685 1.078 -0.364) 2.916 3.610 ( 5.423 12.069 4.622) 14.016 5.699 ( 6.335 9.625 1.227) 11.588 6.008 ( -2.498 -1.377 -0.935) 3.002 6.277 ( 1.358 1.352 -1.043) 2.182 6.776 ( 2.367 -3.298 -2.884) 4.979 7.305 ( -4.072 -11.938 1.907) 12.757 8.098 ( -6.055 -1.172 -3.896) 7.295======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 3.586 9.233 0.271) 9.909 2.152 ( 0.276 8.334 0.046) 8.339 2.504 ( 5.067 5.875 1.038) 7.828 2.590 ( 4.519 7.865 -1.578) 9.207 3.005 ( 3.142 -1.147 -0.134) 3.348 3.803 ( 3.677 6.990 1.382) 8.018 5.904 ( 4.740 8.615 1.894) 10.013 5.975 ( -0.098 1.393 -1.200) 1.841 6.317 ( 1.098 2.487 -1.762) 3.240 6.764 ( 1.535 -3.303 -2.716) 4.544 7.115 ( -5.901 -8.503 1.386) 10.443 7.990 ( -3.049 -2.027 -1.549) 3.975======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 2.861 8.650 1.246) 9.196 2.233 ( 0.302 7.073 -1.060) 7.158 2.591 ( 2.046 1.096 -0.203) 2.330 2.704 ( 0.063 2.216 1.857) 2.892 3.085 ( 2.190 7.824 -1.448) 8.253 3.894 ( 2.928 -0.129 0.614) 2.995 5.993 ( 2.172 2.508 0.036) 3.317 6.074 ( 2.160 7.123 0.818) 7.488 6.340 ( 0.375 0.318 -1.820) 1.885 6.752 ( -1.089 0.801 -2.269) 2.641 6.956 ( -4.547 -3.450 1.308) 5.855 7.939 ( 0.864 -4.044 -0.209) 4.141======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.221 ( -1.239 7.405 0.930) 7.566 2.305 ( 1.122 5.545 -1.521) 5.858 2.606 ( -0.661 -0.764 -0.009) 1.010 2.676 ( -0.673 -4.402 1.532) 4.709 3.174 ( -5.975 14.636 -2.419) 15.993 3.936 ( 4.869 -4.979 1.776) 7.187 6.072 ( 3.013 2.667 -0.072) 4.024 6.133 ( -2.126 3.333 0.361) 3.970 6.345 ( 2.500 -1.761 -1.016) 3.222 6.715 ( -5.758 6.024 -0.280) 8.338 6.907 ( -0.392 0.186 0.091) 0.443 7.927 ( 3.160 -5.591 0.040) 6.422======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.215 ( -6.279 3.995 0.526) 7.461 2.365 ( 0.634 2.835 -1.881) 3.461 2.563 ( -1.729 -1.568 1.369) 2.706 2.645 ( 1.154 -3.254 0.870) 3.560 3.141 ( -12.016 12.308 -2.216) 17.343 3.968 ( 3.114 -4.981 1.597) 6.087 6.075 ( -5.537 0.842 0.658) 5.639 6.123 ( 0.162 -0.275 -0.227) 0.391 6.398 ( 4.245 0.004 -1.404) 4.471 6.702 ( -4.008 9.086 0.018) 9.931 6.910 ( 0.783 -0.666 0.060) 1.030 7.936 ( 4.203 -5.218 0.036) 6.700======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( -8.743 -0.733 1.231) 8.860 2.349 ( -3.505 -0.274 -2.543) 4.340 2.538 ( -2.158 1.778 0.716) 2.886 2.643 ( 0.271 -2.544 2.664) 3.693 3.030 ( -9.274 7.562 -1.675) 12.083 3.925 ( -4.206 -3.185 0.549) 5.304 5.973 ( -6.507 -0.173 1.286) 6.635 6.082 ( -3.333 -0.936 -0.501) 3.498 6.435 ( -1.287 1.041 -1.934) 2.546 6.763 ( 1.902 7.053 -2.350) 7.674 6.941 ( 4.691 -2.179 1.650) 5.429 7.973 ( 5.018 -3.251 -0.234) 5.984======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 0.000 2.766 -8.775) 9.200 1.926 ( 0.000 10.474 -6.210) 12.177 2.067 ( -0.000 12.148 7.215) 14.129 2.436 ( 0.000 3.519 -5.787) 6.773 2.918 ( -0.000 5.889 2.617) 6.444 3.510 ( -0.000 15.283 7.026) 16.820 5.552 ( -0.000 8.443 0.664) 8.469 6.073 ( 0.000 -1.718 -1.061) 2.019 6.238 ( 0.000 -0.348 -0.351) 0.494 6.724 ( 0.000 -1.490 -1.546) 2.147 7.370 ( -0.000 -13.291 1.060) 13.334 8.243 ( 0.000 -1.304 -5.043) 5.209======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 0.222 4.884 -5.661) 7.480 2.060 ( 6.055 3.336 -7.588) 10.265 2.247 ( 4.837 13.019 4.017) 14.457 2.474 ( 1.321 4.034 -2.497) 4.924 2.954 ( -0.103 -0.519 3.721) 3.758 3.712 ( 1.456 15.847 4.548) 16.551 5.685 ( 5.213 7.861 0.744) 9.462 6.040 ( -2.063 0.104 -1.583) 2.603 6.256 ( 1.657 1.300 -0.615) 2.194 6.706 ( 0.984 -3.649 0.067) 3.780 7.230 ( -1.333 -11.742 -0.048) 11.817 8.175 ( -4.415 -0.885 -3.771) 5.873======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 4.604 6.558 -1.682) 8.187 2.161 ( 4.786 2.306 -4.517) 6.973 2.498 ( 5.074 8.566 2.752) 10.330 2.555 ( 5.976 6.227 -2.176) 8.901 2.944 ( 0.825 -3.339 3.748) 5.087 3.874 ( -0.293 10.860 1.150) 10.925 5.883 ( 7.316 7.099 1.003) 10.243 6.007 ( -1.853 2.115 -1.624) 3.247 6.307 ( 1.903 2.243 -1.307) 3.219 6.689 ( 1.902 -4.140 0.557) 4.589 7.090 ( -2.135 -9.191 -0.396) 9.444 8.061 ( -6.129 -0.546 -2.094) 6.500======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.124 ( 5.205 6.900 0.221) 8.646 2.256 ( 3.822 3.242 -1.877) 5.351 2.576 ( 1.172 1.866 0.828) 2.354 2.722 ( 0.639 1.845 0.561) 2.032 3.029 ( 10.403 4.037 1.843) 11.310 3.918 ( -3.325 4.114 -0.833) 5.355 6.001 ( 0.194 3.185 -0.471) 3.225 6.079 ( 4.900 5.501 0.576) 7.390 6.337 ( -0.246 0.409 -1.677) 1.744 6.717 ( 4.381 -0.614 0.066) 4.425 6.973 ( -2.222 -5.417 0.048) 5.856 7.948 ( -4.939 -1.304 -0.733) 5.161======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 3.248 5.367 -0.128) 6.275 2.348 ( 2.029 4.864 0.021) 5.270 2.603 ( 0.574 0.216 0.164) 0.635 2.658 ( -3.561 -5.606 0.876) 6.698 3.315 ( 8.735 12.214 0.137) 15.016 3.850 ( -3.442 -3.724 -0.488) 5.094 6.053 ( 1.879 3.456 -0.331) 3.947 6.184 ( 1.700 2.941 0.820) 3.495 6.298 ( -1.467 -2.689 -1.106) 3.256 6.808 ( 2.378 4.094 -0.542) 4.766 6.912 ( -0.600 -1.342 0.464) 1.542 7.862 ( -1.850 -3.003 -0.125) 3.529======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( -0.468 3.756 -0.809) 3.871 2.403 ( -2.846 4.285 0.905) 5.223 2.545 ( 0.071 -6.298 0.686) 6.336 2.607 ( 0.179 -0.778 -0.003) 0.799 3.470 ( -9.517 13.458 -0.831) 16.504 3.797 ( 7.700 -8.729 0.498) 11.651 6.111 ( 1.020 1.162 -0.239) 1.564 6.179 ( -4.692 1.483 0.618) 4.959 6.293 ( 5.126 -1.987 -0.865) 5.566 6.850 ( -1.984 4.922 0.650) 5.346 6.907 ( -0.955 -0.133 -0.639) 1.156 7.831 ( 2.025 -2.984 -0.032) 3.606======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -9.060 -0.642 0.584) 9.102 2.380 ( -1.305 -0.109 -1.804) 2.229 2.567 ( 2.284 1.051 2.298) 3.406 2.603 ( 0.704 -1.002 0.544) 1.340 3.306 ( -14.479 2.334 0.236) 14.667 3.885 ( 5.141 -1.811 -0.836) 5.514 6.070 ( -4.882 -0.198 -0.070) 4.887 6.133 ( -2.409 0.088 0.830) 2.550 6.385 ( 5.353 0.088 -2.275) 5.817 6.845 ( -3.848 0.132 -0.835) 3.940 6.872 ( 0.609 0.165 1.144) 1.306 7.872 ( 4.147 -0.192 -0.234) 4.158======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 0.000 1.980 -4.730) 5.128 1.987 ( 0.000 2.526 -11.055) 11.340 2.330 ( -0.000 9.727 3.156) 10.226 2.507 ( -0.000 4.661 0.250) 4.668 2.956 ( -0.000 -2.850 5.219) 5.947 3.877 ( -0.000 15.098 2.948) 15.383 5.704 ( -0.000 5.699 0.443) 5.716 6.064 ( 0.000 1.909 -2.309) 2.996 6.257 ( 0.000 2.312 -0.250) 2.325 6.661 ( -0.000 -4.485 2.108) 4.955 7.126 ( 0.000 -9.952 -1.566) 10.074 8.197 ( 0.000 -0.689 -2.920) 3.000======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 4.188 4.066 -1.488) 6.023 2.036 ( 6.239 0.395 -7.969) 10.128 2.480 ( 6.103 8.047 1.338) 10.187 2.555 ( 0.284 3.575 1.007) 3.725 2.925 ( -0.902 -4.451 4.910) 6.688 4.009 ( -1.260 10.916 0.466) 10.998 5.814 ( 6.323 4.315 0.286) 7.661 6.066 ( -1.904 3.492 -2.152) 4.522 6.299 ( 1.507 2.847 -0.435) 3.251 6.624 ( 0.656 -5.213 2.671) 5.894 7.024 ( -0.775 -7.198 -1.986) 7.507 8.147 ( -4.027 -0.225 -1.757) 4.399======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( 6.190 5.726 0.926) 8.483 2.148 ( 8.223 -0.005 -3.886) 9.094 2.589 ( 0.073 1.783 1.059) 2.075 2.695 ( 7.240 4.937 -1.071) 8.828 2.894 ( 3.714 -3.722 4.685) 7.043 4.046 ( -4.314 5.882 -1.399) 7.427 5.987 ( 7.390 2.950 0.154) 7.959 6.069 ( -0.939 4.304 -1.252) 4.580 6.345 ( 0.430 1.890 -0.616) 2.034 6.614 ( 3.825 -4.252 1.891) 6.024 6.946 ( -0.890 -3.882 -1.262) 4.178 8.048 ( -6.333 0.065 -0.742) 6.377======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.233 ( 5.312 2.868 -0.162) 6.039 2.293 ( 6.883 2.131 -0.378) 7.215 2.601 ( -0.057 -0.030 0.479) 0.483 2.693 ( -4.330 -2.872 -0.169) 5.199 3.130 ( 17.477 2.480 2.016) 17.767 3.970 ( -8.111 1.933 -1.558) 8.482 6.074 ( 0.259 3.834 -0.340) 3.857 6.136 ( 4.174 -0.330 0.090) 4.188 6.335 ( -2.691 0.777 -0.053) 2.802 6.709 ( 8.994 -0.723 0.220) 9.025 6.909 ( -0.407 -0.962 -0.062) 1.046 7.929 ( -6.590 -0.247 -0.180) 6.597======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( 3.478 1.157 0.637) 3.721 2.411 ( 5.227 -0.372 -0.783) 5.299 2.550 ( -5.957 -2.351 -0.494) 6.423 2.607 ( -0.737 -0.187 0.019) 0.761 3.464 ( 17.121 -1.137 0.624) 17.170 3.801 ( -11.933 1.780 -0.357) 12.070 6.109 ( 0.584 1.146 0.210) 1.303 6.186 ( 3.813 -2.720 -0.789) 4.750 6.284 ( -4.303 2.801 0.985) 5.228 6.857 ( 5.296 1.029 -0.803) 5.454 6.900 ( 0.324 -1.099 0.774) 1.383 7.830 ( -3.601 0.210 0.027) 3.607======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( -3.424 -5.930 -0.000) 6.847 2.388 ( -0.462 -0.800 -0.000) 0.924 2.523 ( 1.758 3.045 -0.000) 3.516 2.606 ( 0.402 0.696 -0.000) 0.804 3.495 ( -7.082 -12.267 -0.000) 14.165 3.781 ( 4.855 8.410 -0.000) 9.711 6.120 ( -0.035 -0.060 -0.000) 0.069 6.168 ( -1.825 -3.160 -0.000) 3.649 6.308 ( 2.313 4.006 -0.000) 4.626 6.839 ( -2.804 -4.857 0.000) 5.608 6.918 ( 0.025 0.044 -0.000) 0.050 7.831 ( 1.785 3.092 -0.000) 3.571======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 0.000 2.085 -0.947) 2.290 1.979 ( 0.000 2.817 -3.666) 4.623 2.492 ( -0.000 4.787 0.542) 4.818 2.590 ( -0.000 2.456 1.287) 2.773 2.900 ( -0.000 -4.939 3.861) 6.270 4.118 ( 0.000 7.618 -1.123) 7.700 5.786 ( -0.000 2.315 0.074) 2.316 6.122 ( 0.000 4.878 -1.863) 5.222 6.312 ( 0.000 2.645 -0.085) 2.646 6.570 ( -0.000 -6.026 2.685) 6.597 6.966 ( 0.000 -4.057 -2.228) 4.629 8.177 ( 0.000 -0.066 -1.067) 1.069======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 6.892 0.941 -0.747) 6.996 2.051 ( 4.134 5.385 2.095) 7.105 2.587 ( 6.214 2.110 -0.864) 6.619 2.610 ( 0.530 1.069 1.257) 1.733 2.850 ( -0.939 -4.904 2.672) 5.663 4.149 ( -2.256 3.334 -2.554) 4.767 5.868 ( 6.843 1.099 -0.134) 6.932 6.147 ( -2.256 4.734 -0.577) 5.276 6.349 ( 1.257 1.893 0.002) 2.272 6.524 ( 1.275 -5.433 1.330) 5.737 6.929 ( -0.588 -1.062 -1.389) 1.845 8.141 ( -3.786 0.255 -0.437) 3.820======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.117 ( 7.239 -0.793 -1.122) 7.368 2.222 ( 5.774 5.238 3.893) 8.714 2.601 ( -0.319 -1.150 0.008) 1.193 2.722 ( 0.191 -0.143 -2.186) 2.199 2.855 ( 11.780 -3.167 3.252) 12.624 4.095 ( -4.749 0.126 -2.592) 5.412 6.010 ( 7.644 -0.705 -0.598) 7.699 6.139 ( -2.339 1.817 0.449) 2.995 6.379 ( -0.259 1.457 0.835) 1.699 6.548 ( 6.298 -1.623 0.052) 6.504 6.915 ( -0.666 0.865 -0.427) 1.172 8.051 ( -6.466 0.420 -0.089) 6.481======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( 6.621 -3.408 -0.502) 7.463 2.346 ( 3.102 1.524 1.907) 3.948 2.575 ( -0.349 -1.852 -1.130) 2.197 2.655 ( -3.930 -0.117 -1.315) 4.145 3.123 ( 17.531 -4.027 1.662) 18.064 3.981 ( -6.770 -0.271 -1.081) 6.861 6.081 ( 2.842 -4.235 -0.598) 5.135 6.121 ( 0.394 0.112 0.082) 0.418 6.382 ( -2.159 3.069 1.851) 4.184 6.703 ( 10.141 0.648 -0.151) 10.163 6.910 ( -1.235 0.720 -0.018) 1.429 7.936 ( -6.687 0.986 0.074) 6.760======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( -0.000 1.904 1.962) 2.734 2.086 ( -0.000 6.981 5.713) 9.021 2.528 ( 0.000 -1.109 -1.228) 1.654 2.614 ( -0.000 -0.733 0.818) 1.098 2.820 ( -0.000 -4.017 0.624) 4.065 4.171 ( 0.000 -0.913 -3.825) 3.933 5.807 ( 0.000 -0.132 -0.118) 0.177 6.219 ( -0.000 3.276 1.160) 3.475 6.342 ( 0.000 0.041 -0.055) 0.069 6.469 ( 0.000 -2.762 -0.339) 2.783 6.934 ( 0.000 1.523 -0.866) 1.752 8.178 ( 0.000 0.514 -0.178) 0.544======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 3.798 0.550 1.765) 4.224 2.218 ( 3.201 6.566 7.005) 10.120 2.557 ( 4.613 -3.983 -2.120) 6.453 2.618 ( 3.799 -0.678 1.587) 4.172 2.770 ( -1.320 -3.226 -0.681) 3.551 4.115 ( -1.402 -4.655 -3.987) 6.288 5.861 ( 6.425 -1.644 -0.403) 6.644 6.195 ( -3.008 -1.798 1.211) 3.707 6.361 ( 2.182 -1.636 0.436) 2.761 6.489 ( 1.867 4.138 -0.019) 4.540 6.950 ( -0.895 3.268 -0.502) 3.425 8.150 ( -3.822 0.824 -0.126) 3.912======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 4.412 -2.879 0.401) 5.284 2.322 ( 2.216 0.810 3.624) 4.325 2.539 ( 0.962 -4.011 -1.918) 4.549 2.705 ( -2.580 -0.869 -2.284) 3.553 2.808 ( 14.217 -1.441 3.647) 14.748 4.016 ( -1.759 -6.347 -2.579) 7.073 5.952 ( 6.255 -4.316 -1.159) 7.688 6.122 ( -1.862 -3.331 0.742) 3.888 6.392 ( 3.086 -1.242 0.954) 3.460 6.604 ( 4.170 6.638 1.794) 8.042 6.961 ( -1.974 3.834 -0.685) 4.366 8.066 ( -6.429 1.209 -0.114) 6.543======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( -0.000 1.108 2.858) 3.065 2.281 ( -0.000 4.382 7.397) 8.597 2.433 ( 0.000 -6.951 -1.909) 7.208 2.595 ( -0.000 -0.075 3.023) 3.024 2.754 ( 0.000 -1.478 -2.656) 3.040 4.036 ( 0.000 -9.641 -4.567) 10.668 5.778 ( 0.000 -2.675 -0.210) 2.683 6.190 ( -0.000 -5.288 0.495) 5.311 6.314 ( -0.000 -2.425 -0.004) 2.425 6.543 ( -0.000 8.294 1.683) 8.463 7.001 ( 0.000 5.210 -0.599) 5.245 8.196 ( 0.000 1.455 -0.431) 1.518======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( 0.612 -1.733 0.973) 2.080 2.292 ( 0.651 -4.416 1.521) 4.716 2.409 ( 5.234 -8.460 -2.016) 10.150 2.652 ( 2.468 -1.118 6.495) 7.037 2.750 ( 0.810 6.112 -1.514) 6.349 3.910 ( 0.872 -13.051 -3.613) 13.570 5.792 ( 5.159 -4.838 -0.530) 7.092 6.118 ( -1.764 -4.421 -0.092) 4.761 6.312 ( 2.640 -2.642 -0.030) 3.735 6.655 ( 1.384 8.990 3.889) 9.893 7.045 ( -1.634 6.435 -1.084) 6.727 8.176 ( -3.974 2.031 -0.763) 4.528======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 0.000 -3.529 -1.732) 3.931 2.209 ( 0.000 -10.714 -3.637) 11.315 2.251 ( -0.000 -8.714 1.673) 8.873 2.636 ( -0.000 -3.557 3.444) 4.951 2.835 ( -0.000 11.686 3.831) 12.298 3.723 ( 0.000 -18.508 -3.147) 18.774 5.690 ( -0.000 -5.868 -0.075) 5.869 6.091 ( 0.000 -3.214 -0.965) 3.356 6.263 ( -0.000 -2.147 -0.016) 2.147 6.748 ( -0.000 8.587 5.426) 10.158 7.133 ( 0.000 8.196 -1.424) 8.319 8.234 ( 0.000 2.911 -1.670) 3.356======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( -0.000 0.000 21.655) 21.655 0.662 ( -0.000 0.000 21.655) 21.655 1.152 ( -0.000 0.000 38.783) 38.783 2.058 ( 0.000 -0.000 -5.789) 5.789 2.058 ( 0.000 -0.000 -5.789) 5.789 3.849 ( 0.000 -0.000 -15.553) 15.553 5.125 ( 0.000 -0.000 -0.076) 0.076 5.125 ( 0.000 -0.000 -0.076) 0.076 6.390 ( -0.000 0.000 0.166) 0.166 6.390 ( -0.000 0.000 0.166) 0.166 8.114 ( -0.000 0.000 3.623) 3.623 8.480 ( 0.000 -0.000 -1.611) 1.611======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 4.995 2.884 17.923) 18.828 0.906 ( 6.290 3.632 23.202) 24.312 1.524 ( 20.313 11.728 23.393) 33.127 2.065 ( 3.828 2.210 -5.509) 7.063 2.085 ( 2.207 1.274 -5.141) 5.738 3.538 ( -9.051 -5.226 -7.607) 12.926 5.166 ( 2.956 1.707 -0.013) 3.413 5.943 ( 40.144 23.177 -25.956) 53.126 6.358 ( -2.923 -1.688 -0.063) 3.376 6.365 ( -1.889 -1.090 0.127) 2.184 8.080 ( -4.353 -2.513 4.360) 6.654 8.406 ( -4.922 -2.842 -2.464) 6.195======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 11.426 6.597 10.866) 17.093 1.114 ( 6.135 3.542 18.302) 19.625 2.039 ( 15.682 9.054 -8.128) 19.849 2.130 ( 2.899 1.674 -4.262) 5.419 2.269 ( 15.985 9.229 12.598) 22.348 3.407 ( -1.107 -0.639 -6.964) 7.081 5.263 ( 5.249 3.030 -0.006) 6.061 6.254 ( -5.245 -3.028 -0.633) 6.090 6.309 ( -2.657 -1.534 0.089) 3.069 6.571 ( 20.463 11.814 -16.842) 29.016 7.934 ( -9.200 -5.312 6.343) 12.373 8.259 ( -6.113 -3.530 -5.758) 9.109======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 12.793 7.386 5.595) 15.796 1.322 ( 8.155 4.708 8.346) 12.582 2.196 ( 3.656 2.111 -3.058) 5.213 2.273 ( 9.532 5.503 -9.160) 14.320 2.747 ( 16.934 9.777 7.516) 20.948 3.433 ( 4.796 2.769 -1.770) 5.814 5.408 ( 6.851 3.955 0.058) 7.911 6.122 ( -5.353 -3.091 -0.513) 6.203 6.251 ( -2.013 -1.162 0.014) 2.324 6.865 ( 8.467 4.888 -9.340) 13.521 7.688 ( -13.269 -7.661 5.396) 16.244 8.115 ( -3.708 -2.141 -5.286) 6.803======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 10.019 5.785 1.343) 11.647 1.580 ( 10.900 6.293 1.797) 12.714 2.284 ( 4.428 2.557 -1.437) 5.312 2.452 ( 7.279 4.202 -4.726) 9.642 3.025 ( 5.658 3.267 0.559) 6.557 3.624 ( 10.195 5.886 3.172) 12.192 5.573 ( 6.709 3.874 0.200) 7.750 6.022 ( -2.551 -1.473 -0.331) 2.965 6.225 ( -0.017 -0.010 -0.085) 0.087 6.935 ( 0.415 0.239 -7.150) 7.166 7.356 ( -15.364 -8.871 2.679) 17.943 8.071 ( 0.607 0.351 -1.281) 1.461======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 10.393 6.001 -2.730) 12.308 1.798 ( 7.450 4.301 -0.943) 8.654 2.390 ( 4.428 2.556 0.295) 5.121 2.580 ( 4.462 2.576 -2.843) 5.884 3.061 ( -1.863 -1.076 0.114) 2.154 3.864 ( 8.347 4.819 3.702) 10.325 5.708 ( 4.490 2.593 0.274) 5.192 6.012 ( 1.927 1.113 -0.382) 2.258 6.252 ( 2.200 1.270 -0.099) 2.542 6.867 ( -4.734 -2.733 -7.207) 9.045 7.029 ( -11.341 -6.548 3.504) 13.557 8.108 ( 2.029 1.172 0.575) 2.413======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 4.392 2.536 -2.405) 5.613 2.018 ( 9.774 5.643 -5.706) 12.646 2.478 ( 2.416 1.395 1.440) 3.139 2.641 ( 1.337 0.772 -2.052) 2.567 2.967 ( -5.407 -3.122 -0.339) 6.253 4.024 ( 4.056 2.342 4.735) 6.660 5.783 ( 1.902 1.098 0.211) 2.207 6.106 ( 5.876 3.393 -0.809) 6.834 6.311 ( 2.279 1.316 0.003) 2.631 6.649 ( -10.071 -5.814 -2.029) 11.805 6.907 ( -1.505 -0.869 1.121) 2.069 8.152 ( 1.329 0.767 0.524) 1.621======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 2.271 1.311 -2.704) 3.767 2.216 ( 8.453 4.880 -7.098) 12.069 2.497 ( -1.423 -0.822 1.805) 2.441 2.635 ( -1.037 -0.599 -1.265) 1.742 2.835 ( -5.066 -2.925 -0.977) 5.931 4.078 ( -1.070 -0.618 5.417) 5.556 5.804 ( -0.142 -0.082 0.147) 0.220 6.247 ( 4.038 2.332 -1.660) 4.950 6.341 ( 0.044 0.026 0.068) 0.085 6.460 ( -3.566 -2.059 0.592) 4.159 6.916 ( 1.755 1.013 0.984) 2.252 8.173 ( 0.534 0.309 0.329) 0.699======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( 0.485 0.280 -1.897) 1.978 2.326 ( 0.306 0.177 -2.093) 2.123 2.418 ( -5.708 -3.296 1.317) 6.721 2.638 ( 3.919 2.262 -5.891) 7.428 2.736 ( -3.008 -1.737 0.770) 3.558 3.993 ( -7.890 -4.556 4.524) 10.173 5.777 ( -2.322 -1.341 0.135) 2.684 6.190 ( -5.251 -3.032 0.463) 6.081 6.314 ( -2.074 -1.197 0.040) 2.395 6.563 ( 8.644 4.991 -2.573) 10.308 6.992 ( 4.435 2.560 1.322) 5.289 8.190 ( 0.956 0.552 0.927) 1.441======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.865 ( -0.000 13.356 16.728) 21.405 1.010 ( -0.000 13.634 16.337) 21.279 1.557 ( -0.000 15.786 28.954) 32.977 1.985 ( 0.000 -1.291 -7.272) 7.385 2.115 ( 0.000 6.796 -5.579) 8.793 3.510 ( 0.000 -10.720 -9.106) 14.066 5.144 ( 0.000 2.514 -0.006) 2.514 5.868 ( 0.000 43.539 -21.604) 48.604 6.353 ( 0.000 -3.159 -0.247) 3.168 6.375 ( -0.000 -1.764 0.126) 1.768 8.089 ( -0.000 -5.578 4.388) 7.097 8.413 ( 0.000 -3.819 -2.957) 4.830======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -0.164 17.438 10.514) 20.363 1.213 ( 0.204 11.861 19.670) 22.970 1.880 ( 7.592 9.896 -1.668) 12.584 2.083 ( 11.218 8.326 3.520) 14.407 2.190 ( 3.427 7.741 0.280) 8.470 3.382 ( -1.101 -3.643 -8.296) 9.127 5.217 ( 3.822 3.942 0.060) 5.491 6.268 ( 0.760 -0.829 -2.763) 2.983 6.334 ( -1.216 -1.047 -0.370) 1.647 6.366 ( 11.436 18.905 -14.570) 26.467 7.993 ( -3.938 -9.196 5.601) 11.465 8.317 ( -5.094 -2.883 -5.256) 7.867======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( 4.295 16.571 4.999) 17.834 1.375 ( -0.887 11.539 16.091) 19.820 2.055 ( 9.821 2.451 -7.851) 12.810 2.240 ( 2.202 9.123 -8.305) 12.533 2.585 ( 16.833 12.526 10.322) 23.384 3.367 ( 3.506 1.005 -4.266) 5.613 5.351 ( 5.489 5.871 0.122) 8.039 6.165 ( -4.228 -4.884 -0.471) 6.477 6.281 ( -2.203 -1.193 0.033) 2.505 6.717 ( 11.322 9.071 -10.152) 17.707 7.803 ( -7.979 -11.087 5.872) 14.868 8.165 ( -6.188 -1.810 -6.132) 8.897======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 4.346 10.120 3.781) 11.645 1.571 ( 3.587 15.463 6.789) 17.264 2.221 ( 6.889 3.829 -3.420) 8.592 2.369 ( 5.485 6.842 -5.684) 10.450 2.938 ( 9.243 5.810 1.188) 10.982 3.512 ( 9.391 5.394 1.407) 10.921 5.523 ( 5.838 7.357 0.281) 9.396 6.048 ( -3.339 -3.529 -0.239) 4.864 6.243 ( -1.380 0.435 -0.132) 1.453 6.874 ( 4.193 0.837 -7.142) 8.324 7.520 ( -12.605 -10.686 3.229) 16.837 8.064 ( -1.529 -1.041 -2.481) 3.095======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 5.710 9.085 2.592) 11.039 1.793 ( 3.478 12.478 0.534) 12.965 2.363 ( 4.337 6.353 -1.149) 7.777 2.512 ( 5.407 3.832 -3.086) 7.311 3.056 ( 1.718 -0.000 -0.822) 1.905 3.761 ( 10.017 5.460 2.548) 11.690 5.692 ( 3.974 7.720 0.464) 8.695 5.992 ( 0.132 -1.200 -0.041) 1.208 6.247 ( 0.461 2.129 -0.241) 2.192 6.865 ( -0.942 -2.556 -6.681) 7.215 7.191 ( -13.485 -8.247 2.277) 15.970 8.064 ( 2.510 -1.277 0.501) 2.860======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 3.848 6.915 1.112) 7.991 1.962 ( 4.042 10.312 -3.722) 11.684 2.490 ( 1.947 6.992 0.695) 7.291 2.607 ( 2.958 1.690 -2.225) 4.069 3.017 ( -3.634 -2.627 -1.175) 4.635 3.964 ( 7.015 2.583 3.381) 8.204 5.811 ( 0.551 7.153 0.480) 7.190 6.032 ( 4.393 0.994 -0.172) 4.508 6.296 ( 1.859 2.748 -0.175) 3.323 6.745 ( -7.039 -4.493 -5.116) 9.793 6.953 ( -5.949 -3.205 2.694) 7.275 8.105 ( 3.238 -2.078 0.848) 3.940======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 0.620 5.078 -1.154) 5.244 2.133 ( 5.708 8.271 -5.643) 11.526 2.562 ( -1.805 5.212 1.831) 5.812 2.639 ( 0.137 0.717 -1.646) 1.801 2.894 ( -5.640 -3.083 -1.750) 6.662 4.077 ( 2.793 -0.261 4.686) 5.462 5.863 ( -2.378 6.173 0.363) 6.626 6.148 ( 6.621 1.062 -0.718) 6.744 6.352 ( 1.277 2.595 -0.267) 2.905 6.545 ( -8.065 -3.069 -0.791) 8.666 6.904 ( 0.202 -0.168 1.086) 1.117 8.133 ( 2.585 -2.753 0.358) 3.794======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( -0.728 3.014 -1.943) 3.660 2.279 ( 4.427 4.708 -5.813) 8.692 2.535 ( -5.854 1.553 2.493) 6.550 2.636 ( -1.278 3.665 -2.176) 4.450 2.770 ( -3.970 -2.774 -0.801) 4.909 4.073 ( -3.419 -2.991 4.638) 6.492 5.857 ( -4.586 4.508 0.375) 6.442 6.204 ( -0.222 -3.855 -0.666) 3.918 6.364 ( -3.128 1.066 -0.266) 3.315 6.492 ( 3.854 4.662 -0.705) 6.090 6.943 ( 3.295 0.940 0.935) 3.552 8.148 ( 2.505 -2.907 0.362) 3.855======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( -0.000 17.611 9.862) 20.184 1.389 ( -0.000 15.094 9.067) 17.608 1.923 ( 0.000 -0.321 -6.264) 6.272 2.094 ( -0.000 22.594 8.746) 24.228 2.244 ( -0.000 8.164 0.292) 8.169 3.328 ( 0.000 -2.670 -6.973) 7.466 5.230 ( -0.000 5.752 0.355) 5.763 6.242 ( 0.000 -3.915 -0.246) 3.923 6.326 ( 0.000 -2.872 -0.083) 2.873 6.430 ( 0.000 20.699 -13.002) 24.444 7.932 ( -0.000 -12.378 5.302) 13.466 8.320 ( 0.000 -2.198 -6.348) 6.718======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( -1.462 16.002 2.564) 16.272 1.601 ( 0.316 15.369 12.885) 20.058 1.924 ( 4.195 2.781 -6.948) 8.579 2.274 ( 1.267 8.887 -11.591) 14.660 2.514 ( 10.640 17.141 12.174) 23.563 3.316 ( 1.915 1.456 -2.853) 3.732 5.334 ( 3.865 7.273 0.499) 8.252 6.170 ( -2.428 -5.232 -0.268) 5.774 6.290 ( -0.666 -2.222 -0.166) 2.326 6.633 ( 6.175 11.260 -7.825) 15.039 7.785 ( -3.026 -13.911 5.026) 15.097 8.234 ( -4.889 -1.427 -6.949) 8.615======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 1.341 12.193 -0.930) 12.302 1.776 ( -2.339 16.473 11.930) 20.474 2.094 ( 10.576 5.464 -5.038) 12.926 2.356 ( 2.676 6.970 -7.345) 10.474 2.853 ( 8.317 8.939 1.800) 12.342 3.431 ( 6.674 6.679 2.109) 9.675 5.507 ( 5.731 8.972 0.630) 10.665 6.066 ( -3.249 -4.184 -0.369) 5.310 6.264 ( -0.570 -0.304 -0.402) 0.761 6.784 ( 4.830 2.102 -4.925) 7.211 7.577 ( -6.304 -13.406 3.724) 15.276 8.104 ( -5.282 -0.921 -4.981) 7.318======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 3.587 10.754 0.437) 11.345 1.931 ( -1.306 13.947 5.907) 15.203 2.328 ( 8.257 8.602 -1.964) 12.084 2.464 ( 4.039 5.327 -3.625) 7.605 3.005 ( 3.857 1.353 -1.357) 4.307 3.661 ( 8.639 7.375 2.305) 11.590 5.708 ( 5.217 10.055 0.823) 11.358 5.987 ( -1.527 -2.146 -0.150) 2.638 6.265 ( 0.078 1.868 -0.655) 1.981 6.817 ( 1.235 -2.378 -4.588) 5.314 7.316 ( -9.858 -10.497 1.867) 14.521 8.025 ( -0.842 -1.790 -1.247) 2.338======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 3.750 9.769 1.605) 10.586 2.047 ( -0.872 10.892 0.936) 10.967 2.528 ( 4.026 8.057 0.339) 9.014 2.571 ( 3.241 5.047 -1.992) 6.320 3.030 ( -0.384 -0.914 -1.884) 2.129 3.866 ( 7.475 3.209 1.706) 8.312 5.882 ( 2.202 9.669 1.042) 9.971 5.980 ( 2.067 0.308 -0.079) 2.091 6.298 ( 0.999 2.732 -0.672) 2.986 6.768 ( -1.984 -2.721 -4.609) 5.708 7.058 ( -9.247 -6.014 1.890) 11.191 8.018 ( 2.715 -3.481 0.529) 4.446======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 0.128 7.877 2.038) 8.138 2.146 ( 1.425 9.261 -2.958) 9.826 2.607 ( 1.087 0.823 -0.607) 1.493 2.674 ( 0.135 6.604 1.156) 6.706 2.972 ( -5.141 1.810 -3.321) 6.383 4.003 ( 5.905 -0.901 2.880) 6.631 5.980 ( -1.134 7.642 0.832) 7.770 6.058 ( 4.508 2.180 -0.169) 5.011 6.344 ( 1.754 1.606 -0.513) 2.433 6.656 ( -6.852 -0.845 -2.440) 7.322 6.920 ( -2.625 -1.425 1.390) 3.295 8.037 ( 3.679 -4.775 0.449) 6.045======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( -3.173 5.919 0.292) 6.722 2.260 ( 2.652 6.677 -3.958) 8.202 2.599 ( -1.615 -1.190 0.551) 2.081 2.703 ( -0.594 0.377 1.813) 1.945 2.887 ( -8.750 8.003 -3.640) 12.404 4.066 ( 2.197 -3.415 3.385) 5.286 6.004 ( -4.519 6.063 0.693) 7.594 6.143 ( 3.141 -0.990 -0.549) 3.339 6.388 ( 1.806 0.857 -1.061) 2.263 6.549 ( -5.045 4.420 -0.023) 6.707 6.910 ( 1.131 0.212 0.513) 1.260 8.050 ( 3.658 -5.299 0.139) 6.441======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( -0.000 14.251 1.576) 14.338 1.702 ( 0.000 11.957 -4.005) 12.610 1.926 ( -0.000 3.663 2.974) 4.718 2.306 ( 0.000 7.356 -12.191) 14.238 2.654 ( -0.000 18.816 10.066) 21.339 3.327 ( -0.000 5.129 1.354) 5.304 5.379 ( -0.000 8.249 0.717) 8.280 6.140 ( 0.000 -4.750 -0.460) 4.772 6.267 ( 0.000 -2.437 -0.331) 2.459 6.665 ( 0.000 7.738 -4.015) 8.718 7.674 ( -0.000 -15.205 3.789) 15.670 8.244 ( 0.000 -1.019 -7.199) 7.271======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -1.857 9.660 -5.633) 11.335 1.941 ( 11.144 8.558 -5.799) 15.200 1.996 ( -1.402 10.164 8.163) 13.112 2.358 ( 1.728 6.257 -7.625) 10.014 2.866 ( 2.600 10.451 3.655) 11.373 3.444 ( 2.981 10.745 4.704) 12.103 5.509 ( 4.345 9.046 0.769) 10.065 6.074 ( -2.191 -3.579 -0.876) 4.287 6.252 ( 0.660 -1.020 -0.494) 1.311 6.732 ( 2.174 1.824 -1.388) 3.159 7.510 ( -2.011 -14.909 2.551) 15.259 8.173 ( -4.408 -0.497 -6.087) 7.532======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 2.994 9.223 -3.066) 10.170 2.073 ( 1.440 5.885 0.638) 6.092 2.257 ( 9.912 13.238 0.846) 16.559 2.445 ( 3.024 5.461 -3.475) 7.144 2.968 ( 1.611 2.220 0.926) 2.895 3.647 ( 4.383 11.331 3.186) 12.560 5.708 ( 6.493 9.743 0.773) 11.734 6.000 ( -2.305 -1.707 -0.823) 2.984 6.268 ( 1.164 1.099 -0.818) 1.798 6.758 ( 1.458 -2.232 -0.908) 2.816 7.320 ( -3.910 -12.900 1.335) 13.546 8.063 ( -5.092 -0.487 -3.453) 6.172======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 4.684 9.310 -0.229) 10.424 2.156 ( 0.740 6.305 0.580) 6.374 2.516 ( 3.800 5.386 1.326) 6.724 2.573 ( 6.232 10.123 -1.866) 12.033 3.004 ( 1.966 -0.143 0.006) 1.971 3.813 ( 3.337 6.096 0.757) 6.991 5.918 ( 5.104 9.044 0.996) 10.432 5.967 ( -0.075 0.810 -0.580) 0.999 6.304 ( 1.050 2.100 -1.014) 2.558 6.744 ( 0.538 -2.211 -1.445) 2.696 7.124 ( -5.610 -8.933 0.704) 10.572 7.978 ( -2.163 -1.936 -0.861) 3.028======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.124 ( 3.309 8.276 0.522) 8.928 2.230 ( -0.165 6.850 0.427) 6.865 2.588 ( 1.638 1.355 -0.394) 2.162 2.717 ( 0.581 2.477 1.057) 2.755 3.069 ( 1.006 8.596 -2.013) 8.885 3.901 ( 3.747 -0.743 0.878) 3.920 5.993 ( 2.309 2.058 0.158) 3.098 6.080 ( 2.051 7.417 0.518) 7.713 6.328 ( 0.592 0.069 -0.753) 0.960 6.733 ( -1.326 1.872 -1.638) 2.819 6.966 ( -4.405 -3.845 0.825) 5.905 7.939 ( 1.151 -4.210 0.154) 4.367======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( -0.921 6.641 0.724) 6.743 2.295 ( -0.065 6.563 -0.682) 6.599 2.605 ( -0.249 -0.380 -0.332) 0.563 2.688 ( -0.718 -4.918 0.951) 5.061 3.151 ( -6.417 15.474 -2.467) 16.932 3.953 ( 5.481 -5.577 1.842) 8.033 6.072 ( 3.208 2.365 0.113) 3.987 6.136 ( -2.441 3.445 0.191) 4.226 6.337 ( 2.462 -1.752 -0.524) 3.067 6.712 ( -5.339 6.711 -0.284) 8.580 6.908 ( -0.582 -0.308 0.081) 0.663 7.927 ( 3.158 -5.691 0.119) 6.510======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 0.000 4.522 -8.543) 9.666 1.852 ( 0.000 7.234 -9.341) 11.815 2.131 ( -0.000 10.358 6.396) 12.174 2.390 ( 0.000 6.561 -3.560) 7.464 2.952 ( -0.000 5.948 4.023) 7.181 3.569 ( -0.000 14.885 5.539) 15.882 5.558 ( -0.000 8.372 0.727) 8.403 6.060 ( 0.000 -2.146 -1.638) 2.699 6.234 ( 0.000 -0.325 -0.402) 0.517 6.724 ( -0.000 -0.431 1.475) 1.537 7.379 ( -0.000 -14.629 0.818) 14.652 8.192 ( 0.000 -0.149 -5.577) 5.579======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 1.551 6.327 -5.142) 8.299 1.978 ( 8.346 2.581 -9.346) 12.794 2.286 ( 4.015 11.279 4.108) 12.657 2.461 ( 1.059 5.936 -0.327) 6.039 2.990 ( -0.699 0.565 3.686) 3.794 3.749 ( 0.803 14.322 3.195) 14.696 5.691 ( 5.282 7.747 0.529) 9.391 6.024 ( -1.826 -0.247 -1.815) 2.586 6.251 ( 1.427 1.311 -0.513) 2.005 6.719 ( 0.428 -2.867 2.579) 3.880 7.227 ( -1.032 -12.901 -0.475) 12.951 8.139 ( -4.057 0.212 -3.911) 5.639======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 5.543 7.627 -1.172) 9.501 2.116 ( 7.248 1.710 -5.004) 8.971 2.525 ( 5.134 8.311 2.766) 10.153 2.540 ( 4.934 6.504 -1.165) 8.247 2.979 ( 0.022 -2.214 3.479) 4.124 3.880 ( -0.879 9.682 0.213) 9.724 5.889 ( 7.583 7.031 0.315) 10.346 5.993 ( -1.574 1.878 -1.336) 2.791 6.298 ( 1.601 2.208 -0.700) 2.816 6.702 ( 0.955 -3.442 2.202) 4.196 7.084 ( -1.587 -9.906 -0.874) 10.071 8.042 ( -5.606 0.121 -1.885) 5.916======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( 5.306 7.046 0.010) 8.820 2.240 ( 5.150 3.075 -1.433) 6.167 2.583 ( 0.772 1.930 0.614) 2.168 2.724 ( 1.461 2.012 -0.277) 2.502 3.049 ( 8.594 4.511 2.190) 9.950 3.910 ( -3.135 3.465 -0.951) 4.769 5.996 ( 0.306 3.052 -0.423) 3.096 6.082 ( 5.326 5.502 0.094) 7.658 6.326 ( -0.338 0.525 -0.480) 0.787 6.721 ( 3.360 -0.240 0.859) 3.477 6.972 ( -1.633 -5.648 -0.374) 5.892 7.942 ( -4.577 -1.120 -0.488) 4.738======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( 3.052 5.286 -0.000) 6.103 2.348 ( 2.713 4.698 0.000) 5.425 2.604 ( 0.228 0.395 -0.000) 0.456 2.662 ( -3.390 -5.871 -0.000) 6.780 3.316 ( 7.484 12.962 -0.000) 14.968 3.848 ( -2.464 -4.267 -0.000) 4.927 6.051 ( 1.975 3.421 -0.000) 3.950 6.188 ( 1.692 2.931 -0.000) 3.384 6.293 ( -1.471 -2.547 -0.000) 2.941 6.806 ( 2.399 4.156 -0.000) 4.799 6.915 ( -0.747 -1.294 -0.000) 1.494 7.862 ( -1.743 -3.019 -0.000) 3.486======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 0.000 3.697 -3.811) 5.309 1.890 ( 0.000 4.119 -9.070) 9.961 2.357 ( -0.000 8.430 2.508) 8.795 2.514 ( -0.000 5.412 1.352) 5.578 3.001 ( -0.000 -2.518 4.262) 4.950 3.898 ( -0.000 13.399 1.419) 13.474 5.707 ( -0.000 5.533 0.324) 5.542 6.042 ( 0.000 1.767 -2.262) 2.870 6.254 ( 0.000 2.402 -0.210) 2.411 6.692 ( -0.000 -4.246 4.254) 6.011 7.109 ( 0.000 -10.769 -2.116) 10.975 8.168 ( 0.000 0.429 -3.052) 3.082======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 4.905 6.102 -0.025) 7.829 1.970 ( 6.687 2.082 -5.921) 9.172 2.490 ( 5.706 7.032 0.714) 9.084 2.569 ( 0.146 3.690 1.703) 4.067 2.967 ( -0.870 -4.589 3.983) 6.138 4.007 ( -1.484 9.625 -1.003) 9.791 5.815 ( 6.316 4.174 0.014) 7.571 6.047 ( -1.672 3.676 -1.686) 4.376 6.296 ( 1.321 2.937 -0.222) 3.228 6.656 ( 0.311 -5.581 3.979) 6.861 7.003 ( -0.438 -7.349 -2.450) 7.759 8.130 ( -3.848 0.610 -1.726) 4.261======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( 6.003 4.751 -1.384) 7.780 2.128 ( 8.725 3.151 0.279) 9.280 2.599 ( -0.006 1.544 0.981) 1.829 2.685 ( 6.690 4.215 -1.117) 7.986 2.937 ( 3.771 -3.797 4.203) 6.805 4.028 ( -4.210 5.293 -2.335) 7.155 5.986 ( 7.352 2.798 -0.390) 7.876 6.060 ( -0.595 4.711 -0.606) 4.787 6.342 ( 0.344 2.177 -0.008) 2.204 6.634 ( 3.248 -5.055 2.310) 6.437 6.933 ( -0.381 -3.537 -1.430) 3.835 8.042 ( -6.162 0.491 -0.647) 6.215======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -0.000 3.308 0.266) 3.319 1.961 ( 0.000 6.292 -0.097) 6.293 2.494 ( 0.000 4.016 -0.157) 4.019 2.604 ( -0.000 2.204 1.696) 2.781 2.933 ( -0.000 -5.787 3.068) 6.550 4.100 ( 0.000 6.524 -2.812) 7.105 5.786 ( 0.000 2.232 -0.035) 2.232 6.108 ( 0.000 5.578 -1.063) 5.678 6.312 ( 0.000 2.668 -0.070) 2.669 6.597 ( -0.000 -7.381 3.042) 7.984 6.944 ( 0.000 -3.443 -2.411) 4.203 8.167 ( 0.000 0.602 -1.039) 1.201======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 5.340 1.958 -0.004) 5.688 2.084 ( 4.654 7.825 4.508) 10.159 2.577 ( 5.755 1.548 -1.373) 6.116 2.624 ( 0.601 0.766 1.519) 1.804 2.874 ( -0.437 -5.994 2.380) 6.464 4.118 ( -2.024 2.773 -3.935) 5.221 5.866 ( 6.719 1.031 -0.276) 6.803 6.145 ( -2.282 5.657 0.086) 6.100 6.350 ( 1.378 2.143 0.160) 2.552 6.536 ( 1.284 -6.946 1.164) 7.159 6.916 ( -0.401 -0.398 -1.400) 1.509 8.137 ( -3.735 0.610 -0.425) 3.809======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( -0.000 2.478 2.554) 3.559 2.148 ( -0.000 9.154 7.125) 11.600 2.514 ( 0.000 -1.493 -1.647) 2.222 2.623 ( -0.000 -1.044 1.115) 1.527 2.827 ( -0.000 -5.366 0.848) 5.432 4.129 ( 0.000 -1.182 -5.047) 5.184 5.805 ( 0.000 -0.164 -0.147) 0.220 6.232 ( -0.000 4.321 1.537) 4.587 6.342 ( 0.000 0.051 -0.068) 0.085 6.465 ( 0.000 -3.724 -0.491) 3.756 6.925 ( 0.000 1.958 -1.037) 2.215 8.176 ( 0.000 0.630 -0.272) 0.686======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( -0.000 0.000 19.279) 19.279 0.856 ( -0.000 0.000 19.279) 19.279 1.504 ( -0.000 0.000 35.830) 35.830 1.997 ( 0.000 -0.000 -7.049) 7.049 1.997 ( 0.000 -0.000 -7.049) 7.049 3.687 ( 0.000 -0.000 -18.662) 18.662 5.124 ( 0.000 0.000 -0.073) 0.073 5.124 ( 0.000 -0.000 -0.073) 0.073 6.392 ( -0.000 0.000 0.164) 0.164 6.392 ( -0.000 0.000 0.164) 0.164 8.150 ( -0.000 0.000 3.955) 3.955 8.463 ( 0.000 -0.000 -1.984) 1.984======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 2.885 1.666 17.826) 18.135 1.115 ( 8.156 4.709 20.632) 22.680 1.710 ( 8.321 4.804 13.890) 16.889 2.029 ( 2.676 1.545 -6.588) 7.277 2.038 ( 8.134 4.696 2.013) 9.605 3.445 ( -7.767 -4.484 -11.811) 14.830 5.165 ( 2.953 1.705 -0.235) 3.418 5.749 ( 36.909 21.309 -15.904) 45.489 6.357 ( -3.083 -1.780 -0.136) 3.563 6.367 ( -1.896 -1.095 0.220) 2.200 8.121 ( -3.730 -2.153 4.485) 6.218 8.381 ( -5.829 -3.365 -2.880) 7.321======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 8.830 5.098 13.078) 16.583 1.301 ( 2.471 1.427 20.939) 21.133 1.936 ( 11.849 6.841 -12.472) 18.514 2.083 ( 3.505 2.024 -5.833) 7.100 2.397 ( 17.189 9.924 13.240) 23.859 3.332 ( 0.545 0.315 -8.562) 8.585 5.261 ( 5.287 3.052 -0.374) 6.116 6.248 ( -4.832 -2.790 -0.682) 5.621 6.311 ( -2.688 -1.552 0.256) 3.114 6.430 ( 22.903 13.223 -12.955) 29.448 7.995 ( -8.818 -5.091 6.457) 12.057 8.205 ( -6.864 -3.963 -5.600) 9.704======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 10.644 6.145 8.312) 14.837 1.420 ( 4.214 2.433 11.982) 12.932 2.160 ( 4.450 2.569 -4.645) 6.927 2.191 ( 11.693 6.751 -8.048) 15.718 2.807 ( 13.388 7.730 4.826) 16.195 3.410 ( 7.551 4.360 -2.956) 9.207 5.407 ( 6.955 4.016 -0.342) 8.038 6.119 ( -5.269 -3.042 -0.079) 6.084 6.253 ( -2.077 -1.199 0.218) 2.408 6.779 ( 9.753 5.631 -8.606) 14.174 7.731 ( -14.457 -8.347 3.433) 17.043 8.079 ( -2.321 -1.340 -2.105) 3.408======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 7.376 4.259 5.948) 10.389 1.608 ( 9.146 5.281 4.189) 11.362 2.264 ( 5.391 3.113 -2.827) 6.837 2.410 ( 8.284 4.783 -3.941) 10.345 3.026 ( 4.917 2.839 -0.486) 5.699 3.642 ( 11.184 6.457 0.733) 12.935 5.573 ( 6.832 3.945 -0.133) 7.891 6.022 ( -2.547 -1.470 0.434) 2.973 6.225 ( -0.085 -0.049 0.103) 0.142 6.866 ( 0.680 0.393 -7.315) 7.357 7.376 ( -15.440 -8.914 1.519) 17.893 8.072 ( 1.262 0.729 1.505) 2.095======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 8.236 4.755 1.436) 9.618 1.797 ( 6.214 3.588 0.777) 7.218 2.388 ( 5.259 3.036 -0.711) 6.114 2.554 ( 4.788 2.764 -2.639) 6.126 3.055 ( -1.816 -1.049 -1.363) 2.502 3.892 ( 9.041 5.220 2.118) 10.653 5.710 ( 4.543 2.623 0.075) 5.247 6.013 ( 1.728 0.997 0.608) 2.085 6.252 ( 2.191 1.265 0.015) 2.531 6.800 ( -4.279 -2.470 -6.873) 8.465 7.060 ( -10.763 -6.214 3.050) 12.797 8.119 ( 1.839 1.062 1.818) 2.795======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 3.771 2.177 -1.439) 4.587 1.976 ( 8.014 4.627 -3.185) 9.787 2.489 ( 2.878 1.661 0.840) 3.427 2.622 ( 1.645 0.950 -1.973) 2.738 2.957 ( -5.373 -3.102 -1.888) 6.485 4.067 ( 4.746 2.740 4.109) 6.849 5.785 ( 1.896 1.095 0.136) 2.194 6.102 ( 5.415 3.127 0.098) 6.254 6.311 ( 2.306 1.332 0.040) 2.664 6.626 ( -8.103 -4.678 -2.888) 9.793 6.922 ( -2.277 -1.315 2.093) 3.361 8.158 ( 1.013 0.585 0.855) 1.449======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -0.000 10.444 17.600) 20.465 1.148 ( -0.000 11.360 12.637) 16.992 1.800 ( -0.000 9.360 20.033) 22.112 1.917 ( 0.000 -1.167 -6.871) 6.969 2.073 ( 0.000 8.128 -1.332) 8.236 3.405 ( 0.000 -8.558 -12.554) 15.194 5.145 ( -0.000 2.599 0.215) 2.608 5.707 ( 0.000 40.109 -12.987) 42.160 6.351 ( -0.000 -3.583 -0.063) 3.584 6.376 ( -0.000 -1.813 0.012) 1.813 8.131 ( -0.000 -4.961 4.411) 6.638 8.383 ( 0.000 -5.171 -3.286) 6.127======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( -1.088 13.206 12.030) 17.897 1.390 ( 4.009 9.631 17.732) 20.573 1.822 ( 0.967 4.931 -8.549) 9.916 2.052 ( 4.447 6.607 -7.956) 11.257 2.279 ( 11.578 11.222 14.220) 21.498 3.297 ( -0.384 -1.733 -9.370) 9.536 5.217 ( 3.636 4.152 0.042) 5.520 6.200 ( 14.271 22.648 -9.926) 28.550 6.291 ( -0.752 -1.295 -2.109) 2.587 6.337 ( -1.762 -2.087 0.030) 2.732 8.047 ( -3.413 -8.862 5.785) 11.120 8.266 ( -5.528 -4.174 -5.551) 8.877======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 3.792 11.823 6.882) 14.196 1.530 ( -3.108 10.060 16.257) 19.369 1.981 ( 11.725 4.615 -7.550) 14.690 2.159 ( 3.429 8.633 -8.765) 12.772 2.669 ( 13.491 9.784 7.062) 18.100 3.325 ( 5.076 3.720 -4.415) 7.687 5.351 ( 5.370 6.178 -0.147) 8.187 6.162 ( -4.194 -4.865 -0.089) 6.424 6.282 ( -2.163 -1.358 0.105) 2.556 6.632 ( 11.994 10.997 -7.682) 17.995 7.853 ( -8.786 -11.746 4.645) 15.386 8.115 ( -4.819 -1.780 -4.332) 6.720======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 5.397 8.631 3.561) 10.784 1.663 ( -0.334 13.313 11.321) 17.479 2.185 ( 7.818 4.426 -4.220) 9.925 2.319 ( 6.894 7.704 -4.775) 11.388 2.943 ( 7.887 4.289 -0.312) 8.984 3.517 ( 10.199 7.010 -0.333) 12.380 5.524 ( 5.800 7.706 -0.093) 9.645 6.049 ( -3.186 -3.585 0.388) 4.812 6.243 ( -1.350 0.212 0.060) 1.368 6.810 ( 3.947 1.734 -6.202) 7.553 7.542 ( -13.398 -10.765 1.273) 17.234 8.055 ( 0.210 -1.276 0.625) 1.436======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 5.577 8.239 2.728) 10.316 1.823 ( 0.406 11.144 5.664) 12.507 2.347 ( 5.315 7.079 -2.216) 9.125 2.485 ( 5.731 4.234 -2.564) 7.573 3.043 ( 1.774 -0.238 -1.831) 2.560 3.775 ( 10.469 5.916 0.530) 12.037 5.695 ( 3.941 8.043 0.113) 8.958 5.996 ( 0.170 -1.386 0.857) 1.638 6.246 ( 0.514 1.934 -0.007) 2.001 6.804 ( -1.336 -1.989 -6.086) 6.540 7.209 ( -12.803 -8.013 1.580) 15.186 8.077 ( 2.861 -1.746 2.177) 3.997======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 3.287 6.958 2.742) 8.169 1.937 ( 1.285 9.243 -1.053) 9.392 2.493 ( 2.572 7.643 -0.021) 8.064 2.587 ( 3.072 1.902 -2.095) 4.177 2.999 ( -3.588 -2.905 -2.702) 5.350 3.991 ( 7.993 2.888 2.359) 8.820 5.814 ( 0.448 7.386 0.253) 7.403 6.035 ( 4.187 0.710 0.831) 4.327 6.295 ( 1.931 2.631 -0.003) 3.264 6.697 ( -5.688 -3.351 -4.839) 8.185 6.979 ( -6.280 -3.726 2.715) 7.790 8.115 ( 2.959 -2.488 1.410) 4.115======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -0.000 13.447 12.325) 18.241 1.443 ( -0.000 12.200 1.745) 12.325 1.883 ( 0.000 1.178 -1.544) 1.942 2.046 ( 0.000 12.050 -12.831) 17.602 2.352 ( -0.000 14.135 16.035) 21.375 3.261 ( 0.000 0.414 -6.869) 6.881 5.234 ( -0.000 5.854 0.641) 5.889 6.242 ( -0.000 -2.459 0.278) 2.475 6.324 ( 0.000 -2.944 -0.240) 2.954 6.328 ( 0.000 22.142 -8.522) 23.726 7.983 ( -0.000 -12.590 5.489) 13.735 8.259 ( 0.000 -3.176 -6.703) 7.417======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( -2.002 11.488 1.350) 11.739 1.700 ( 6.749 11.887 7.131) 15.417 1.880 ( -0.028 5.270 -1.228) 5.411 2.157 ( 3.315 9.650 -12.494) 16.131 2.622 ( 7.147 13.540 10.044) 18.311 3.291 ( 2.387 5.218 -2.287) 6.177 5.339 ( 3.718 7.449 0.548) 8.343 6.168 ( -2.479 -5.447 -0.231) 5.989 6.288 ( -0.613 -2.354 -0.262) 2.447 6.576 ( 6.194 13.754 -4.226) 15.665 7.832 ( -3.017 -14.780 4.739) 15.812 8.169 ( -4.356 -1.517 -6.590) 8.044======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 2.606 9.960 -0.587) 10.312 1.888 ( -3.036 14.030 11.304) 18.271 2.046 ( 11.801 5.913 -5.417) 14.268 2.288 ( 4.437 8.463 -6.296) 11.443 2.869 ( 6.000 7.103 1.342) 9.394 3.446 ( 6.615 8.978 1.040) 11.200 5.511 ( 5.635 9.230 0.326) 10.819 6.064 ( -3.040 -4.380 -0.132) 5.333 6.261 ( -0.534 -0.543 -0.255) 0.803 6.747 ( 4.001 3.497 -2.694) 5.958 7.606 ( -7.011 -13.986 2.291) 15.812 8.065 ( -3.405 -0.982 -3.017) 4.654======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 4.755 9.944 0.764) 11.049 1.995 ( -2.397 10.926 7.036) 13.214 2.306 ( 8.846 10.442 -2.664) 13.943 2.434 ( 4.784 5.795 -2.458) 7.906 2.992 ( 3.305 1.469 -1.328) 3.853 3.674 ( 8.166 7.759 0.418) 11.272 5.713 ( 5.220 10.344 0.278) 11.590 5.988 ( -1.261 -2.406 0.380) 2.742 6.261 ( 0.151 1.569 -0.204) 1.589 6.780 ( 0.191 -1.380 -3.133) 3.429 7.328 ( -10.024 -10.501 0.660) 14.532 8.022 ( 0.591 -2.355 0.594) 2.500======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 4.153 9.458 0.868) 10.366 2.072 ( -2.405 9.194 3.973) 10.300 2.531 ( 3.983 8.769 0.544) 9.646 2.550 ( 3.756 5.947 -2.503) 7.466 3.008 ( -0.941 -1.054 -2.788) 3.126 3.878 ( 8.091 3.377 0.791) 8.803 5.889 ( 2.198 10.013 0.378) 10.259 5.983 ( 2.161 -0.118 0.765) 2.296 6.295 ( 1.123 2.485 -0.033) 2.728 6.729 ( -2.592 -1.711 -3.581) 4.740 7.073 ( -8.598 -6.189 1.355) 10.680 8.027 ( 2.960 -4.048 1.333) 5.189======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 0.000 8.744 -9.564) 12.959 1.662 ( 0.000 8.751 -0.900) 8.797 1.979 ( -0.000 6.491 7.078) 9.604 2.193 ( 0.000 11.030 -10.658) 15.338 2.746 ( -0.000 14.307 8.853) 16.824 3.340 ( -0.000 8.914 1.481) 9.036 5.386 ( -0.000 8.263 0.869) 8.308 6.135 ( 0.000 -5.149 -0.781) 5.208 6.263 ( 0.000 -2.474 -0.430) 2.511 6.645 ( 0.000 9.778 -0.297) 9.782 7.708 ( -0.000 -16.361 3.528) 16.737 8.177 ( 0.000 -0.694 -7.040) 7.074======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( -0.107 8.341 -5.964) 10.254 1.869 ( 11.334 5.415 -9.112) 15.518 2.075 ( -0.289 10.459 7.831) 13.069 2.300 ( 2.302 9.431 -4.055) 10.520 2.902 ( 0.994 8.774 3.700) 9.574 3.482 ( 2.525 12.267 3.348) 12.964 5.516 ( 4.263 9.046 0.652) 10.022 6.064 ( -1.974 -3.962 -1.037) 4.547 6.248 ( 0.621 -1.091 -0.439) 1.330 6.733 ( 1.466 3.090 1.582) 3.768 7.531 ( -1.993 -16.102 1.959) 16.343 8.118 ( -3.636 0.116 -5.405) 6.515======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 4.709 9.246 -2.076) 10.582 2.053 ( 6.593 2.842 -4.679) 8.570 2.278 ( 6.909 14.169 3.098) 16.065 2.424 ( 2.812 6.790 -0.633) 7.376 2.979 ( 0.471 2.994 1.334) 3.311 3.669 ( 3.435 10.993 1.459) 11.609 5.713 ( 6.487 9.761 0.256) 11.723 5.993 ( -1.899 -2.042 -0.678) 2.870 6.262 ( 1.136 0.945 -0.348) 1.518 6.759 ( 0.167 -1.253 1.208) 1.749 7.329 ( -3.942 -13.627 0.470) 14.194 8.035 ( -3.769 -0.272 -2.287) 4.417======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 5.338 9.245 -0.000) 10.675 2.159 ( 2.595 4.495 0.000) 5.190 2.524 ( 2.277 3.944 -0.000) 4.555 2.562 ( 7.285 12.618 -0.000) 14.570 3.004 ( 0.473 0.819 -0.000) 0.946 3.817 ( 3.310 5.733 -0.000) 6.620 5.923 ( 5.326 9.225 -0.000) 10.652 5.964 ( 0.208 0.360 -0.000) 0.415 6.299 ( 1.110 1.922 -0.000) 2.220 6.738 ( -0.744 -1.289 -0.000) 1.488 7.128 ( -5.313 -9.202 -0.000) 10.626 7.974 ( -1.285 -2.225 -0.000) 2.569======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( 0.000 6.382 -7.671) 9.979 1.756 ( 0.000 5.604 -10.576) 11.969 2.187 ( -0.000 8.842 5.338) 10.328 2.371 ( 0.000 9.074 -0.386) 9.082 2.988 ( -0.000 5.511 3.464) 6.509 3.613 ( -0.000 14.467 3.695) 14.931 5.565 ( -0.000 8.238 0.647) 8.263 6.044 ( 0.000 -2.540 -1.706) 3.059 6.230 ( 0.000 -0.268 -0.373) 0.460 6.751 ( -0.000 0.353 4.237) 4.252 7.384 ( -0.000 -16.008 0.371) 16.013 8.141 ( 0.000 0.848 -5.170) 5.239======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( 2.977 7.825 -3.861) 9.220 1.892 ( 9.399 3.537 -8.630) 13.241 2.321 ( 3.705 9.571 3.283) 10.775 2.466 ( 0.885 6.962 1.410) 7.158 3.021 ( -1.042 1.125 2.906) 3.285 3.771 ( 0.266 13.028 1.446) 13.111 5.694 ( 5.198 7.595 0.231) 9.206 6.008 ( -1.529 -0.474 -1.555) 2.231 6.247 ( 1.341 1.354 -0.271) 1.925 6.753 ( -0.289 -2.372 4.667) 5.243 7.221 ( -0.758 -14.076 -0.970) 14.130 8.104 ( -3.543 1.109 -3.363) 5.010======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 0.000 5.485 -2.428) 5.998 1.820 ( 0.000 6.677 -5.622) 8.729 2.377 ( -0.000 7.193 1.663) 7.383 2.531 ( -0.000 5.650 2.126) 6.037 3.035 ( -0.000 -2.264 2.893) 3.674 3.903 ( 0.000 11.773 -0.333) 11.778 5.710 ( -0.000 5.371 0.139) 5.373 6.024 ( 0.000 1.820 -1.599) 2.422 6.253 ( 0.000 2.481 -0.126) 2.484 6.740 ( -0.000 -4.451 5.871) 7.367 7.086 ( 0.000 -11.630 -2.601) 11.917 8.141 ( 0.000 1.430 -2.671) 3.030======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( -0.000 0.000 15.532) 15.532 1.021 ( -0.000 0.000 15.532) 15.532 1.819 ( -0.000 0.000 30.459) 30.459 1.929 ( 0.000 -0.000 -7.219) 7.219 1.929 ( 0.000 -0.000 -7.219) 7.219 3.506 ( 0.000 -0.000 -19.156) 19.156 5.124 ( 0.000 0.000 -0.057) 0.057 5.124 ( 0.000 -0.000 -0.057) 0.057 6.393 ( -0.000 0.000 0.131) 0.131 6.393 ( -0.000 0.000 0.131) 0.131 8.187 ( -0.000 0.000 3.594) 3.594 8.444 ( 0.000 -0.000 -2.041) 2.041======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 2.149 1.241 15.786) 15.980 1.284 ( 11.736 6.776 14.672) 19.973 1.759 ( -4.016 -2.319 -1.356) 4.832 1.963 ( 2.924 1.688 -7.262) 8.009 2.126 ( 12.590 7.269 14.350) 20.427 3.325 ( -5.642 -3.257 -12.882) 14.436 5.161 ( 2.871 1.658 -0.409) 3.340 5.635 ( 33.454 19.315 -8.555) 39.566 6.356 ( -3.232 -1.866 -0.182) 3.736 6.369 ( -1.865 -1.077 0.267) 2.170 8.162 ( -3.037 -1.754 4.020) 5.335 8.353 ( -6.713 -3.876 -2.871) 8.266======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 7.138 4.121 13.423) 15.751 1.497 ( -0.758 -0.438 19.912) 19.931 1.815 ( 13.102 7.565 -12.536) 19.648 2.022 ( 3.964 2.288 -6.949) 8.321 2.503 ( 15.029 8.677 8.446) 19.300 3.253 ( 2.356 1.360 -7.693) 8.160 5.256 ( 5.282 3.049 -0.662) 6.134 6.242 ( -3.125 -1.804 -0.419) 3.632 6.314 ( -2.689 -1.553 0.367) 3.127 6.330 ( 22.343 12.900 -8.071) 27.033 8.054 ( -9.321 -5.382 5.982) 12.314 8.154 ( -6.352 -3.667 -4.954) 8.851======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 8.783 5.071 10.042) 14.272 1.536 ( 1.793 1.035 11.882) 12.061 2.109 ( 5.213 3.010 -6.052) 8.536 2.130 ( 13.359 7.713 -4.165) 15.979 2.832 ( 10.997 6.349 0.381) 12.704 3.381 ( 9.463 5.463 -2.985) 11.327 5.402 ( 7.053 4.072 -0.667) 8.171 6.120 ( -5.083 -2.935 0.460) 5.887 6.255 ( -2.125 -1.227 0.373) 2.482 6.707 ( 10.134 5.851 -6.515) 13.394 7.749 ( -15.320 -8.845 0.203) 17.691 8.079 ( -0.952 -0.550 2.146) 2.411======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 7.301 4.215 6.198) 10.463 1.660 ( 5.389 3.111 9.313) 11.201 2.231 ( 6.469 3.735 -4.136) 8.538 2.381 ( 8.637 4.986 -2.213) 10.215 3.014 ( 4.617 2.666 -2.039) 5.708 3.638 ( 11.980 6.917 -1.579) 13.924 5.570 ( 6.985 4.033 -0.436) 8.077 6.030 ( -2.433 -1.405 1.219) 3.063 6.227 ( -0.162 -0.094 0.268) 0.326 6.801 ( 0.657 0.379 -6.274) 6.320 7.385 ( -14.878 -8.590 0.405) 17.184 8.098 ( 1.270 0.733 3.782) 4.056======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -0.000 10.170 16.051) 19.002 1.238 ( -0.000 8.618 5.804) 10.390 1.864 ( 0.000 -0.188 -3.662) 3.667 1.868 ( 0.000 1.496 -4.088) 4.353 2.146 ( -0.000 10.823 14.799) 18.334 3.286 ( 0.000 -5.817 -11.928) 13.270 5.148 ( -0.000 2.755 0.394) 2.783 5.616 ( 0.000 37.053 -6.729) 37.659 6.351 ( -0.000 -3.803 0.061) 3.803 6.375 ( 0.000 -1.893 -0.105) 1.896 8.170 ( -0.000 -4.089 3.745) 5.545 8.353 ( 0.000 -6.651 -3.090) 7.334======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( -0.892 9.617 9.617) 13.630 1.535 ( 11.042 8.575 11.967) 18.403 1.745 ( -5.027 4.677 -6.636) 9.549 1.969 ( 4.305 4.265 -8.581) 10.505 2.402 ( 9.624 11.201 10.388) 18.056 3.216 ( 0.435 0.403 -7.109) 7.134 5.218 ( 3.250 4.440 0.021) 5.503 6.125 ( 16.057 27.002 -5.555) 31.903 6.281 ( -2.576 -4.638 -0.462) 5.325 6.337 ( -1.587 -2.216 0.028) 2.726 8.102 ( -2.793 -8.353 5.882) 10.592 8.213 ( -5.887 -5.445 -5.760) 9.873======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 4.180 7.409 6.704) 10.831 1.665 ( -3.992 9.176 11.269) 15.070 1.925 ( 13.250 5.948 -3.693) 14.987 2.081 ( 5.069 8.362 -6.993) 12.022 2.711 ( 10.386 8.560 1.540) 13.546 3.290 ( 6.026 5.823 -2.684) 8.798 5.348 ( 5.149 6.494 -0.368) 8.296 6.163 ( -4.060 -4.881 0.229) 6.353 6.283 ( -2.041 -1.528 0.188) 2.557 6.576 ( 11.701 12.197 -4.160) 17.406 7.882 ( -10.695 -11.960 0.984) 16.074 8.092 ( -2.020 -2.087 -0.065) 2.905======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( 6.031 6.105 5.180) 10.024 1.772 ( -1.689 12.457 11.277) 16.888 2.139 ( 8.216 4.867 -5.756) 11.150 2.288 ( 8.032 7.807 -1.316) 11.278 2.931 ( 7.136 4.102 -2.228) 8.527 3.506 ( 10.194 8.022 -1.898) 13.110 5.521 ( 5.753 8.006 -0.420) 9.868 6.055 ( -2.880 -3.637 0.878) 4.722 6.245 ( -1.302 0.046 0.270) 1.331 6.761 ( 3.160 2.433 -4.255) 5.832 7.544 ( -13.549 -10.384 -0.672) 17.083 8.075 ( 1.450 -2.062 3.519) 4.329======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 0.000 9.001 -6.882) 11.331 1.512 ( -0.000 8.650 13.210) 15.790 1.898 ( -0.000 3.505 4.477) 5.686 1.904 ( 0.000 10.320 -16.594) 19.541 2.485 ( -0.000 13.891 10.928) 17.674 3.208 ( 0.000 3.205 -3.805) 4.975 5.241 ( -0.000 5.958 0.805) 6.012 6.248 ( -0.000 -3.732 0.715) 3.800 6.270 ( 0.000 25.119 -3.473) 25.358 6.321 ( 0.000 -3.015 -0.355) 3.036 8.035 ( -0.000 -12.997 5.432) 14.086 8.196 ( 0.000 -3.859 -6.647) 7.686======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.150 7.771 -3.165) 8.392 1.724 ( 10.859 5.531 -1.548) 12.284 1.901 ( -3.516 10.320 3.285) 11.387 2.063 ( 5.019 10.347 -5.175) 12.611 2.694 ( 4.137 12.124 4.990) 13.748 3.278 ( 2.573 7.857 -0.238) 8.270 5.344 ( 3.425 7.602 0.506) 8.353 6.166 ( -2.367 -5.743 -0.301) 6.219 6.285 ( -0.490 -2.459 -0.263) 2.522 6.556 ( 5.663 15.480 0.005) 16.484 7.870 ( -3.604 -15.604 3.129) 16.318 8.115 ( -3.048 -1.645 -4.597) 5.756======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 4.646 8.047 -0.000) 9.292 1.973 ( 2.907 5.035 0.000) 5.814 1.992 ( 7.457 12.915 -0.000) 14.913 2.255 ( 5.439 9.421 -0.000) 10.879 2.875 ( 4.098 7.097 -0.000) 8.195 3.451 ( 5.888 10.199 -0.000) 11.776 5.513 ( 5.435 9.414 -0.000) 10.870 6.063 ( -2.668 -4.621 -0.000) 5.335 6.259 ( -0.403 -0.698 -0.000) 0.806 6.734 ( 2.654 4.597 -0.000) 5.308 7.617 ( -8.006 -13.866 -0.000) 16.012 8.051 ( -1.076 -1.863 -0.000) 2.151======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( 0.000 8.733 -10.634) 13.760 1.628 ( 0.000 3.249 -6.930) 7.654 2.047 ( -0.000 6.673 7.091) 9.737 2.124 ( 0.000 14.836 -3.347) 15.209 2.812 ( -0.000 12.182 4.743) 13.073 3.356 ( -0.000 11.100 2.167) 11.309 5.394 ( -0.000 8.226 0.853) 8.270 6.127 ( 0.000 -5.553 -0.821) 5.613 6.259 ( 0.000 -2.481 -0.447) 2.521 6.660 ( -0.000 11.166 3.421) 11.678 7.737 ( -0.000 -17.392 2.387) 17.555 8.116 ( 0.000 -0.573 -5.497) 5.527======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -0.000 0.000 9.321) 9.321 1.141 ( -0.000 0.000 9.321) 9.321 1.869 ( 0.000 -0.000 -5.116) 5.116 1.869 ( 0.000 -0.000 -5.116) 5.116 2.061 ( -0.000 0.000 19.640) 19.640 3.343 ( 0.000 -0.000 -14.035) 14.035 5.123 ( 0.000 -0.000 -0.031) 0.031 5.123 ( 0.000 -0.000 -0.031) 0.031 6.394 ( -0.000 0.000 0.072) 0.072 6.394 ( -0.000 0.000 0.072) 0.072 8.215 ( -0.000 0.000 2.292) 2.292 8.427 ( 0.000 -0.000 -1.441) 1.441======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 2.691 1.554 11.418) 11.833 1.368 ( 14.020 8.095 1.866) 16.297 1.749 ( -6.736 -3.889 1.646) 7.950 1.898 ( 2.642 1.525 -6.213) 6.921 2.247 ( 10.215 5.897 8.761) 14.693 3.222 ( -3.765 -2.174 -7.589) 8.747 5.157 ( 2.729 1.575 -0.501) 3.190 5.582 ( 31.300 18.071 -3.010) 36.267 6.354 ( -3.336 -1.926 -0.187) 3.856 6.371 ( -1.802 -1.040 0.261) 2.097 8.193 ( -2.275 -1.313 2.133) 3.384 8.331 ( -7.521 -4.342 -1.566) 8.825======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 6.636 3.831 11.731) 14.012 1.613 ( -1.980 -1.143 -3.144) 3.887 1.760 ( 15.229 8.793 8.679) 19.611 1.955 ( 3.996 2.307 -6.998) 8.382 2.542 ( 12.747 7.360 -0.750) 14.738 3.201 ( 3.529 2.037 -2.640) 4.855 5.249 ( 5.236 3.023 -0.814) 6.100 6.243 ( -0.303 -0.175 0.720) 0.800 6.276 ( 19.553 11.289 -3.611) 22.865 6.318 ( -2.661 -1.536 0.402) 3.099 8.080 ( -12.691 -7.327 -2.940) 14.946 8.139 ( -2.608 -1.506 4.084) 5.074======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 0.000 5.394 -3.677) 6.528 1.320 ( -0.000 12.740 10.869) 16.747 1.800 ( 0.000 -3.112 -8.012) 8.595 1.856 ( -0.000 1.668 2.097) 2.679 2.260 ( -0.000 10.053 6.468) 11.954 3.204 ( 0.000 -3.950 -4.082) 5.680 5.152 ( -0.000 2.951 0.496) 2.992 5.576 ( 0.000 35.617 -1.752) 35.660 6.352 ( -0.000 -3.885 0.146) 3.887 6.374 ( 0.000 -1.988 -0.202) 1.998 8.196 ( -0.000 -2.866 1.490) 3.230 8.330 ( 0.000 -8.277 -1.426) 8.399======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 3.273 5.668 -0.000) 6.545 1.592 ( 8.408 14.563 -0.000) 16.816 1.717 ( -0.772 -1.337 0.000) 1.544 1.919 ( 2.427 4.203 0.000) 4.853 2.454 ( 6.740 11.675 -0.000) 13.481 3.179 ( 0.840 1.456 -0.000) 1.681 5.218 ( 2.745 4.754 -0.000) 5.490 6.099 ( 16.020 27.747 -0.000) 32.040 6.279 ( -2.874 -4.979 -0.000) 5.749 6.337 ( -1.356 -2.349 -0.000) 2.713 8.154 ( -1.689 -2.925 -0.000) 3.378 8.161 ( -6.549 -11.343 0.000) 13.098======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( -0.000 0.000 0.000) 0.000 1.186 ( -0.000 0.000 0.000) 0.000 1.843 ( -0.000 0.000 0.000) 0.000 1.843 ( -0.000 0.000 0.000) 0.000 2.159 ( -0.000 0.000 0.000) 0.000 3.271 ( -0.000 0.000 0.000) 0.000 5.123 ( -0.000 0.000 0.000) 0.000 5.123 ( -0.000 0.000 0.000) 0.000 6.394 ( -0.000 0.000 0.000) 0.000 6.394 ( -0.000 0.000 0.000) 0.000 8.226 ( -0.000 0.000 0.000) 0.000 8.419 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 755.564 755.564 1812.772 0.000 -0.000 0.000 3/32928 20.0 167.385 167.385 165.961 0.000 -0.000 0.000 3/32928 30.0 81.870 81.870 62.710 0.000 -0.000 0.000 3/32928 40.0 54.234 54.234 36.860 0.000 -0.000 0.000 3/32928 50.0 39.616 39.616 25.561 0.000 -0.000 0.000 3/32928 60.0 30.512 30.512 19.269 0.000 -0.000 0.000 3/32928 70.0 24.480 24.480 15.328 0.000 -0.000 0.000 3/32928 80.0 20.305 20.305 12.673 0.000 -0.000 0.000 3/32928 90.0 17.299 17.299 10.787 0.000 -0.000 0.000 3/32928 100.0 15.056 15.056 9.387 0.000 -0.000 0.000 3/32928 110.0 13.328 13.328 8.312 0.000 -0.000 0.000 3/32928 120.0 11.962 11.962 7.463 0.000 -0.000 0.000 3/32928 130.0 10.855 10.855 6.775 0.000 -0.000 0.000 3/32928 140.0 9.941 9.941 6.207 0.000 -0.000 0.000 3/32928 150.0 9.174 9.174 5.729 0.000 -0.000 0.000 3/32928 160.0 8.521 8.521 5.323 0.000 -0.000 0.000 3/32928 170.0 7.957 7.957 4.972 0.000 -0.000 0.000 3/32928 180.0 7.466 7.466 4.665 0.000 -0.000 0.000 3/32928 190.0 7.034 7.034 4.396 0.000 -0.000 0.000 3/32928 200.0 6.651 6.651 4.157 0.000 -0.000 0.000 3/32928 210.0 6.309 6.309 3.943 0.000 -0.000 0.000 3/32928 220.0 6.001 6.001 3.751 0.000 -0.000 0.000 3/32928 230.0 5.723 5.723 3.577 0.000 -0.000 0.000 3/32928 240.0 5.470 5.470 3.419 0.000 -0.000 0.000 3/32928 250.0 5.239 5.239 3.275 0.000 -0.000 0.000 3/32928 260.0 5.028 5.028 3.143 0.000 -0.000 0.000 3/32928 270.0 4.833 4.833 3.021 0.000 -0.000 0.000 3/32928 280.0 4.653 4.653 2.909 0.000 -0.000 0.000 3/32928 290.0 4.486 4.486 2.804 0.000 -0.000 0.000 3/32928 300.0 4.331 4.331 2.707 0.000 -0.000 0.000 3/32928 310.0 4.187 4.187 2.617 0.000 -0.000 0.000 3/32928 320.0 4.052 4.052 2.533 0.000 -0.000 0.000 3/32928 330.0 3.926 3.926 2.454 0.000 -0.000 0.000 3/32928 340.0 3.807 3.807 2.379 0.000 -0.000 0.000 3/32928 350.0 3.696 3.696 2.310 0.000 -0.000 0.000 3/32928 360.0 3.591 3.591 2.244 0.000 -0.000 0.000 3/32928 370.0 3.491 3.491 2.182 0.000 -0.000 0.000 3/32928 380.0 3.398 3.398 2.123 0.000 -0.000 0.000 3/32928 390.0 3.309 3.309 2.068 0.000 -0.000 0.000 3/32928 400.0 3.225 3.225 2.015 0.000 -0.000 0.000 3/32928 410.0 3.145 3.145 1.965 0.000 -0.000 0.000 3/32928 420.0 3.069 3.069 1.918 0.000 -0.000 0.000 3/32928 430.0 2.996 2.996 1.872 0.000 -0.000 0.000 3/32928 440.0 2.927 2.927 1.829 0.000 -0.000 0.000 3/32928 450.0 2.861 2.861 1.788 0.000 -0.000 0.000 3/32928 460.0 2.798 2.798 1.748 0.000 -0.000 0.000 3/32928 470.0 2.738 2.738 1.711 0.000 -0.000 0.000 3/32928 480.0 2.680 2.680 1.675 0.000 -0.000 0.000 3/32928 490.0 2.625 2.625 1.640 0.000 -0.000 0.000 3/32928 500.0 2.572 2.572 1.607 0.000 -0.000 0.000 3/32928 510.0 2.521 2.521 1.575 0.000 -0.000 0.000 3/32928 520.0 2.472 2.472 1.545 0.000 -0.000 0.000 3/32928 530.0 2.425 2.425 1.515 0.000 -0.000 0.000 3/32928 540.0 2.380 2.380 1.487 0.000 -0.000 0.000 3/32928 550.0 2.337 2.337 1.460 0.000 -0.000 0.000 3/32928 560.0 2.294 2.294 1.433 0.000 -0.000 0.000 3/32928 570.0 2.254 2.254 1.408 0.000 -0.000 0.000 3/32928 580.0 2.215 2.215 1.384 0.000 -0.000 0.000 3/32928 590.0 2.177 2.177 1.360 0.000 -0.000 0.000 3/32928 600.0 2.141 2.141 1.337 0.000 -0.000 0.000 3/32928 610.0 2.105 2.105 1.315 0.000 -0.000 0.000 3/32928 620.0 2.071 2.071 1.294 0.000 -0.000 0.000 3/32928 630.0 2.038 2.038 1.273 0.000 -0.000 0.000 3/32928 640.0 2.006 2.006 1.253 0.000 -0.000 0.000 3/32928 650.0 1.975 1.975 1.234 0.000 -0.000 0.000 3/32928 660.0 1.945 1.945 1.215 0.000 -0.000 0.000 3/32928 670.0 1.916 1.916 1.197 0.000 -0.000 0.000 3/32928 680.0 1.888 1.888 1.179 0.000 -0.000 0.000 3/32928 690.0 1.860 1.860 1.162 0.000 -0.000 0.000 3/32928 700.0 1.834 1.834 1.145 0.000 -0.000 0.000 3/32928 710.0 1.808 1.808 1.129 0.000 -0.000 0.000 3/32928 720.0 1.783 1.783 1.113 0.000 -0.000 0.000 3/32928 730.0 1.758 1.758 1.098 0.000 -0.000 0.000 3/32928 740.0 1.734 1.734 1.083 0.000 -0.000 0.000 3/32928 750.0 1.711 1.711 1.069 0.000 -0.000 0.000 3/32928 760.0 1.689 1.689 1.054 0.000 -0.000 0.000 3/32928 770.0 1.667 1.667 1.041 0.000 -0.000 0.000 3/32928 780.0 1.645 1.645 1.027 0.000 -0.000 0.000 3/32928 790.0 1.624 1.624 1.014 0.000 -0.000 0.000 3/32928 800.0 1.604 1.604 1.002 0.000 -0.000 0.000 3/32928 810.0 1.584 1.584 0.989 0.000 -0.000 0.000 3/32928 820.0 1.565 1.565 0.977 0.000 -0.000 0.000 3/32928 830.0 1.546 1.546 0.965 0.000 -0.000 0.000 3/32928 840.0 1.527 1.527 0.954 0.000 -0.000 0.000 3/32928 850.0 1.509 1.509 0.943 0.000 -0.000 0.000 3/32928 860.0 1.492 1.492 0.932 0.000 -0.000 0.000 3/32928 870.0 1.475 1.475 0.921 0.000 -0.000 0.000 3/32928 880.0 1.458 1.458 0.910 0.000 -0.000 0.000 3/32928 890.0 1.442 1.442 0.900 0.000 -0.000 0.000 3/32928 900.0 1.426 1.426 0.890 0.000 -0.000 0.000 3/32928 910.0 1.410 1.410 0.880 0.000 -0.000 0.000 3/32928 920.0 1.395 1.395 0.871 0.000 -0.000 0.000 3/32928 930.0 1.380 1.380 0.861 0.000 -0.000 0.000 3/32928 940.0 1.365 1.365 0.852 0.000 -0.000 0.000 3/32928 950.0 1.350 1.350 0.843 0.000 -0.000 0.000 3/32928 960.0 1.336 1.336 0.834 0.000 -0.000 0.000 3/32928 970.0 1.323 1.323 0.826 0.000 -0.000 0.000 3/32928 980.0 1.309 1.309 0.817 0.000 -0.000 0.000 3/32928 990.0 1.296 1.296 0.809 0.000 -0.000 0.000 3/32928 1000.0 1.283 1.283 0.801 0.000 -0.000 0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:19:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|