# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5a6888ff-3871-41fa-b57a-73446d9815df/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 RbLaS2 / R-3m (166) / materials id 9361](https://mdr.nims.go.jp/datasets/1ac16f94-9ded-4d01-8344-2eacb860a446) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:18:19]-------------------------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 2.135809865303095 1.233110400670598 7.565040539999990 b -2.135809865303090 1.233110400670598 7.565040539999990 c 0.000000000000002 -2.466220801341199 7.565040539999990Atomic positions (fractional): *1 S 0.76733595714700 0.76733595714700 0.76733595714700 32.065 2 S 0.23266404285300 0.23266404285300 0.23266404285300 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.271619730606185 0.000000000000000 0.000000000000000 b -2.135809865303092 3.699331202011797 0.000000000000000 c 0.000000000000000 0.000000000000000 22.695121619999995Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10066929048034 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.23266404285300 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43400262381367 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56599737618633 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.76733595714700 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89933070951966 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 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 4 11 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 4 12 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.814859191818554 0.000000000000000 0.000000000000000 b -6.407429595909276 11.097993606035391 0.000000000000000 c 0.000000000000000 0.000000000000000 22.695121619999995Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10066929048034 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10066929048034 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10066929048034 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10066929048034 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10066929048034 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10066929048034 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10066929048034 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10066929048034 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10066929048034 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23266404285300 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.23266404285300 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.23266404285300 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.23266404285300 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.23266404285300 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.23266404285300 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.23266404285300 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.23266404285300 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.23266404285300 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43400262381367 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43400262381367 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43400262381367 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43400262381367 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43400262381367 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43400262381367 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43400262381367 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43400262381367 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43400262381367 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56599737618633 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56599737618633 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56599737618633 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56599737618633 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56599737618633 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56599737618633 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56599737618633 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56599737618633 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56599737618633 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.76733595714700 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76733595714700 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76733595714700 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76733595714700 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76733595714700 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76733595714700 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76733595714700 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76733595714700 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76733595714700 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89933070951966 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89933070951966 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89933070951966 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89933070951966 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89933070951966 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89933070951966 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89933070951966 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89933070951966 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89933070951966 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 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 4 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 4 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 4 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 4 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 4 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 4 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 4 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 4 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 4 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 4 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 4 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 4 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 4 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 4 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 4 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 4 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 4 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 4 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 4 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 4 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 4 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 4 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 4 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 4 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 4 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 4 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.3040007 -0.0000000 0.0000000 0.0000000 5.3040007 0.0000000 0.0000000 0.0000000 4.0511946-------------------------- Born effective charges -------------------------- 1 S -2.7930883 0.0000000 0.0000000 0.0000000 -2.7930883 0.0000000 0.0000000 0.0000000 -1.8810552 2 S -2.7930883 0.0000000 0.0000000 0.0000000 -2.7930883 0.0000000 0.0000000 0.0000000 -1.8810552 3 Rb 1.0611222 -0.0000000 0.0000000 0.0000000 1.0611222 0.0000000 0.0000000 0.0000000 1.7705777 4 La 4.5250544 -0.0000000 0.0000000 0.0000000 4.5250544 0.0000000 0.0000000 0.0000000 1.9915327----------------------------------------------------------------------------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: 170Finding 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 (xx) -0.00000000 (xx) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 170Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:18:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:23]-------------------------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 2.135809865303095 1.233110400670598 7.565040539999990 b -2.135809865303090 1.233110400670598 7.565040539999990 c 0.000000000000002 -2.466220801341199 7.565040539999990Atomic positions (fractional): 1 S 0.76733595714700 0.76733595714700 0.76733595714700 32.065 2 S 0.23266404285300 0.23266404285300 0.23266404285300 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905-------------------------------- supercell ---------------------------------Lattice vectors: a 12.814859191818554 0.000000000000000 0.000000000000000 b -6.407429595909276 11.097993606035391 0.000000000000000 c 0.000000000000000 0.000000000000000 22.695121619999995Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10066929048034 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10066929048034 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10066929048034 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10066929048034 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10066929048034 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10066929048034 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10066929048034 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10066929048034 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10066929048034 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23266404285300 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23266404285300 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23266404285300 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23266404285300 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23266404285300 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23266404285300 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23266404285300 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23266404285300 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23266404285300 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43400262381367 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43400262381367 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43400262381367 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43400262381367 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43400262381367 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43400262381367 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43400262381367 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43400262381367 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43400262381367 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56599737618633 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56599737618633 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56599737618633 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56599737618633 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56599737618633 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56599737618633 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56599737618633 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56599737618633 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56599737618633 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76733595714700 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76733595714700 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76733595714700 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76733595714700 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76733595714700 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76733595714700 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76733595714700 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76733595714700 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76733595714700 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89933070951966 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89933070951966 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89933070951966 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89933070951966 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89933070951966 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89933070951966 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89933070951966 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89933070951966 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89933070951966 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 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 82 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 82 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 82 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 82 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 82 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 82 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 82 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 82 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 82 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 82 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 82 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 82 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 82 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 82 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 82 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 82 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 82 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 82 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 82 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 82 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 82 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 82 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 82 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 82 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 82 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 82 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.3040007 -0.0000000 0.0000000 0.0000000 5.3040007 0.0000000 0.0000000 0.0000000 4.0511946-------------------------- Born effective charges -------------------------- 1 S -2.7930883 0.0000000 0.0000000 0.0000000 -2.7930883 0.0000000 0.0000000 0.0000000 -1.8810552 2 S -2.7930883 0.0000000 0.0000000 0.0000000 -2.7930883 0.0000000 0.0000000 0.0000000 -1.8810552 3 Rb 1.0611222 -0.0000000 0.0000000 0.0000000 1.0611222 0.0000000 0.0000000 0.0000000 1.7705777 4 La 4.5250544 -0.0000000 0.0000000 0.0000000 4.5250544 0.0000000 0.0000000 0.0000000 1.9915327----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:18:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:28]-------------------------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 2.135809865303095 1.233110400670598 7.565040539999990 b -2.135809865303090 1.233110400670598 7.565040539999990 c 0.000000000000002 -2.466220801341199 7.565040539999990Atomic positions (fractional): 1 S 0.76733595714700 0.76733595714700 0.76733595714700 32.065 2 S 0.23266404285300 0.23266404285300 0.23266404285300 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905-------------------------------- supercell ---------------------------------Lattice vectors: a 12.814859191818554 0.000000000000000 0.000000000000000 b -6.407429595909276 11.097993606035391 0.000000000000000 c 0.000000000000000 0.000000000000000 22.695121619999995Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10066929048034 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10066929048034 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10066929048034 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10066929048034 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10066929048034 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10066929048034 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10066929048034 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10066929048034 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10066929048034 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23266404285300 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23266404285300 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23266404285300 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23266404285300 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23266404285300 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23266404285300 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23266404285300 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23266404285300 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23266404285300 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43400262381367 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43400262381367 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43400262381367 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43400262381367 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43400262381367 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43400262381367 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43400262381367 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43400262381367 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43400262381367 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56599737618633 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56599737618633 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56599737618633 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56599737618633 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56599737618633 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56599737618633 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56599737618633 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56599737618633 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56599737618633 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76733595714700 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76733595714700 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76733595714700 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76733595714700 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76733595714700 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76733595714700 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76733595714700 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76733595714700 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76733595714700 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89933070951966 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89933070951966 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89933070951966 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89933070951966 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89933070951966 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89933070951966 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89933070951966 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89933070951966 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89933070951966 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 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 82 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 82 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 82 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 82 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 82 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 82 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 82 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 82 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 82 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 82 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 82 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 82 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 82 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 82 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 82 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 82 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 82 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 82 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 82 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 82 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 82 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 82 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 82 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 82 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 82 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 82 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.3040007 -0.0000000 0.0000000 0.0000000 5.3040007 0.0000000 0.0000000 0.0000000 4.0511946-------------------------- Born effective charges -------------------------- 1 S -2.7930883 0.0000000 0.0000000 0.0000000 -2.7930883 0.0000000 0.0000000 0.0000000 -1.8810552 2 S -2.7930883 0.0000000 0.0000000 0.0000000 -2.7930883 0.0000000 0.0000000 0.0000000 -1.8810552 3 Rb 1.0611222 -0.0000000 0.0000000 0.0000000 1.0611222 0.0000000 0.0000000 0.0000000 1.7705777 4 La 4.5250544 -0.0000000 0.0000000 0.0000000 4.5250544 0.0000000 0.0000000 0.0000000 1.9915327----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 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: 0.84, Number of G-points: 313, Lambda: 0.19Running 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 4.65e-08 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 2.071 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 7.149 ( 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.423 ( 19.528 11.275 -3.791) 22.866 0.436 ( 19.668 11.355 -2.529) 22.851 0.881 ( 36.839 21.269 11.766) 44.135 2.082 ( 0.888 0.513 0.639) 1.208 2.130 ( 5.343 3.085 -2.212) 6.554 3.359 ( -2.136 -1.233 1.154) 2.723 5.003 ( 1.277 0.737 0.372) 1.521 5.692 ( -1.585 -0.915 -0.184) 1.839 5.715 ( 0.154 0.089 0.032) 0.181 6.347 ( -0.608 -0.351 -9.515) 9.541 7.090 ( -5.402 -3.119 1.990) 6.548 8.327 ( -1.378 -0.795 -9.630) 9.760======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 19.259 11.119 -3.917) 22.580 0.856 ( 18.839 10.877 -4.342) 22.183 1.676 ( 29.517 17.042 11.019) 35.821 2.115 ( 1.772 1.023 1.329) 2.440 2.309 ( 12.730 7.350 -4.860) 15.482 3.297 ( -3.467 -2.002 -0.213) 4.010 5.048 ( 2.536 1.464 0.590) 2.988 5.645 ( -2.349 -1.356 -0.310) 2.730 5.706 ( -1.250 -0.722 -0.046) 1.445 6.292 ( -2.471 -1.427 -2.449) 3.760 6.936 ( -8.785 -5.072 3.708) 10.801 8.229 ( -4.827 -2.787 -8.854) 10.463======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( 17.367 10.027 -6.655) 21.129 1.245 ( 17.464 10.083 -4.182) 20.595 2.163 ( 12.104 6.988 6.103) 15.251 2.171 ( 2.889 1.668 2.084) 3.933 2.724 ( 23.878 13.786 -5.584) 28.132 3.221 ( -2.643 -1.526 3.578) 4.702 5.116 ( 3.252 1.877 0.608) 3.803 5.596 ( -1.660 -0.958 -0.350) 1.949 5.654 ( -3.174 -1.832 -0.417) 3.688 6.223 ( -3.585 -2.070 0.794) 4.215 6.737 ( -9.989 -5.767 4.517) 12.387 8.062 ( -7.244 -4.182 -9.610) 12.741======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 13.060 7.540 -4.270) 15.673 1.586 ( 15.555 8.981 -8.598) 19.914 2.262 ( 4.654 2.687 2.613) 5.975 2.366 ( 6.331 3.655 2.659) 7.779 2.988 ( -1.325 -0.765 -4.268) 4.534 3.413 ( 18.799 10.853 6.345) 22.615 5.185 ( 2.483 1.433 0.457) 2.903 5.579 ( -2.880 -1.663 -0.592) 3.378 5.582 ( 0.638 0.368 -0.282) 0.789 6.129 ( -5.390 -3.112 2.215) 6.606 6.527 ( -9.792 -5.653 2.942) 11.683 7.866 ( -7.202 -4.158 -8.564) 11.938======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 7.154 4.131 -3.356) 8.917 1.885 ( 13.867 8.006 -9.270) 18.502 2.391 ( 5.923 3.419 2.170) 7.175 2.488 ( 4.218 2.435 1.604) 5.127 2.876 ( -7.086 -4.091 2.900) 8.681 3.812 ( 13.965 8.063 1.611) 16.206 5.223 ( 0.882 0.509 0.229) 1.044 5.541 ( -0.127 -0.073 -0.569) 0.587 5.622 ( 2.734 1.579 -0.135) 3.160 5.999 ( -7.045 -4.067 3.892) 9.018 6.329 ( -7.630 -4.405 -1.595) 8.953 7.706 ( -5.023 -2.900 -5.238) 7.815======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 2.821 1.629 -1.680) 3.665 2.146 ( 11.786 6.805 -8.034) 15.804 2.514 ( 4.109 2.372 1.051) 4.859 2.563 ( 1.970 1.137 -0.237) 2.287 2.712 ( -8.370 -4.832 6.791) 11.812 4.030 ( 5.729 3.308 -0.184) 6.618 5.233 ( 0.146 0.084 0.075) 0.184 5.571 ( 2.976 1.718 -1.037) 3.589 5.683 ( 2.290 1.322 -0.037) 2.645 5.841 ( -7.944 -4.587 4.217) 10.096 6.203 ( -2.803 -1.619 -3.356) 4.663 7.612 ( -2.428 -1.402 -1.950) 3.415======================= 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 4.65e-08 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 -0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.718 ( -0.000 -0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 7.582 ( 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( -0.000 22.946 9.086) 24.679 0.506 ( -0.000 21.872 13.033) 25.461 0.845 ( -0.000 40.763 5.738) 41.164 2.065 ( 0.000 0.351 -2.889) 2.910 2.139 ( -0.000 6.861 -0.251) 6.865 3.363 ( -0.000 -3.726 1.756) 4.120 5.000 ( 0.000 1.341 -0.214) 1.358 5.694 ( -0.000 -1.751 0.166) 1.759 5.713 ( 0.000 0.118 -0.253) 0.279 6.286 ( 0.000 3.345 -21.026) 21.291 7.098 ( -0.000 -6.299 3.290) 7.106 8.301 ( 0.000 1.917 -13.619) 13.754======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( 4.283 18.904 9.496) 21.585 0.881 ( 7.751 24.659 -0.274) 25.850 1.471 ( 22.803 28.775 10.140) 38.090 2.086 ( 2.832 0.732 -2.834) 4.073 2.248 ( 3.798 10.871 -2.223) 11.728 3.310 ( -1.709 -3.732 -1.309) 4.308 5.030 ( 1.545 1.887 0.173) 2.445 5.663 ( -1.395 -1.931 -0.032) 2.382 5.709 ( -0.348 -0.916 -0.268) 1.016 6.265 ( 1.287 -1.669 -9.830) 10.053 6.998 ( -4.540 -8.426 4.714) 10.669 8.242 ( -3.220 -1.573 -10.086) 10.704======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 11.737 14.382 3.097) 18.820 1.238 ( 8.417 22.278 -3.594) 24.085 2.047 ( 14.767 12.230 8.405) 20.935 2.152 ( 3.628 2.810 -0.989) 4.695 2.523 ( 15.485 18.849 -4.984) 24.898 3.239 ( -1.660 -3.616 0.159) 3.982 5.088 ( 2.701 2.414 0.554) 3.665 5.618 ( -1.855 -1.104 -0.275) 2.176 5.674 ( -1.833 -2.461 -0.504) 3.109 6.230 ( -0.264 -3.015 -3.530) 4.650 6.828 ( -7.212 -9.129 5.783) 12.992 8.101 ( -6.351 -4.025 -9.979) 12.495======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 13.131 10.665 -1.727) 17.004 1.559 ( 7.785 18.207 -5.043) 20.434 2.253 ( 3.462 6.151 0.784) 7.102 2.296 ( 7.051 3.934 3.154) 8.668 2.932 ( 8.750 8.223 -7.933) 14.391 3.279 ( 10.197 6.600 7.756) 14.411 5.164 ( 2.804 2.788 0.733) 4.021 5.586 ( -1.096 -0.065 -0.526) 1.217 5.606 ( -2.497 -2.185 -0.710) 3.393 6.170 ( -2.453 -3.435 -0.757) 4.289 6.626 ( -8.532 -8.887 5.362) 13.436 7.907 ( -7.103 -5.319 -9.478) 12.984======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 11.681 7.475 -4.035) 14.443 1.809 ( 6.185 13.243 -6.135) 15.851 2.385 ( 3.017 7.950 2.465) 8.853 2.437 ( 5.640 3.184 0.861) 6.533 2.934 ( -3.340 -2.867 -0.872) 4.487 3.663 ( 15.534 11.218 3.588) 19.494 5.229 ( 1.128 3.011 0.690) 3.289 5.542 ( -1.162 -1.607 -0.967) 2.206 5.604 ( 1.181 2.005 -0.275) 2.343 6.079 ( -4.593 -2.944 1.224) 5.591 6.407 ( -8.924 -8.120 1.531) 12.162 7.726 ( -4.852 -5.295 -6.632) 9.775======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 5.485 4.991 -2.567) 7.848 2.013 ( 8.795 9.350 -7.927) 15.087 2.498 ( 2.888 2.846 2.685) 4.863 2.553 ( 1.947 5.738 -0.192) 6.063 2.830 ( -6.301 -1.487 3.720) 7.467 3.955 ( 8.486 5.677 0.918) 10.251 5.263 ( -0.898 3.561 0.439) 3.699 5.533 ( 1.637 -0.442 -1.147) 2.048 5.658 ( 2.376 2.229 0.133) 3.261 5.967 ( -7.642 -1.736 4.164) 8.875 6.210 ( -4.542 -6.050 -3.807) 8.469 7.609 ( -1.739 -4.427 -2.922) 5.582======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 0.465 3.345 -1.028) 3.530 2.224 ( 9.244 5.857 -7.202) 13.100 2.550 ( -1.129 -1.854 4.374) 4.883 2.557 ( -1.209 -1.519 -0.766) 2.087 2.762 ( -6.621 8.563 2.123) 11.030 4.077 ( 2.453 1.435 0.554) 2.896 5.275 ( -2.050 3.974 0.165) 4.475 5.571 ( 3.625 -1.219 -1.149) 3.993 5.715 ( 1.464 2.545 0.444) 2.969 5.819 ( -8.552 -0.284 1.979) 8.782 6.137 ( 1.478 -3.294 -1.984) 4.120 7.559 ( 0.712 -3.226 -0.554) 3.350======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( -2.359 1.571 0.361) 2.857 2.276 ( -6.327 -3.459 3.186) 7.884 2.510 ( 2.639 -1.304 -3.453) 4.537 2.564 ( 1.429 -0.157 0.680) 1.590 2.741 ( -6.924 10.274 -2.099) 12.566 4.080 ( -2.574 -1.414 1.138) 3.149 5.274 ( -2.477 3.607 -0.055) 4.376 5.581 ( -0.139 -3.658 0.976) 3.789 5.710 ( -3.057 -0.056 -0.703) 3.138 5.800 ( 2.730 6.690 -2.077) 7.518 6.155 ( 3.664 -2.058 1.886) 4.606 7.567 ( 3.142 -1.878 1.017) 3.799======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -5.958 -1.912 2.246) 6.648 2.085 ( -11.916 -3.897 7.058) 14.387 2.468 ( -3.584 -1.611 -3.522) 5.277 2.556 ( -6.296 0.916 0.320) 6.371 2.789 ( 5.026 6.334 -4.747) 9.376 3.952 ( -10.120 -4.852 0.462) 11.232 5.260 ( -2.631 2.250 -0.259) 3.472 5.543 ( -0.695 -1.486 0.933) 1.887 5.657 ( -2.880 -0.797 -0.129) 2.991 5.929 ( 5.347 6.245 -3.974) 9.132 6.239 ( 6.814 0.288 2.558) 7.284 7.639 ( 6.054 -0.214 3.318) 6.907======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( -11.570 -7.333 4.620) 14.457 1.870 ( -14.565 0.006 6.457) 15.932 2.356 ( -7.441 0.661 -3.623) 8.303 2.428 ( -6.916 -2.268 -0.978) 7.344 2.935 ( 6.897 3.191 -0.854) 7.647 3.636 ( -19.592 -8.490 -2.079) 21.453 5.223 ( -3.145 0.250 -0.419) 3.182 5.550 ( 1.862 0.383 0.680) 2.019 5.606 ( -2.295 0.150 0.211) 2.310 6.059 ( 5.518 3.854 -3.025) 7.379 6.397 ( 9.603 2.298 -0.590) 9.892 7.786 ( 8.692 1.684 5.853) 10.613======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -16.128 -8.928 4.400) 18.952 1.611 ( -19.625 1.181 5.742) 20.481 2.233 ( -6.431 0.689 -3.482) 7.346 2.270 ( -8.576 -3.777 -1.977) 9.577 3.011 ( -10.675 -2.751 8.751) 14.075 3.198 ( -10.285 -5.143 -9.402) 14.853 5.158 ( -3.793 -1.110 -0.481) 3.981 5.591 ( 0.351 0.994 0.387) 1.122 5.611 ( 3.282 1.058 0.339) 3.465 6.164 ( 4.716 1.850 -2.060) 5.469 6.589 ( 10.926 2.658 -2.358) 11.489 7.983 ( 9.445 2.628 6.413) 11.715======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -19.063 -7.374 2.529) 20.595 1.278 ( -23.542 1.632 4.327) 23.992 1.982 ( -21.006 -5.705 -4.835) 22.297 2.151 ( -3.968 0.202 -1.306) 4.182 2.560 ( -23.748 -5.255 2.725) 24.475 3.233 ( 5.599 0.756 -0.927) 5.725 5.083 ( -3.432 -0.957 -0.361) 3.581 5.620 ( 1.851 0.927 0.230) 2.082 5.676 ( 2.943 0.385 0.071) 2.969 6.244 ( 4.114 0.686 -0.663) 4.223 6.792 ( 11.106 1.961 -1.742) 11.412 8.170 ( 7.753 1.845 4.337) 9.074======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( -20.108 0.000 0.000) 20.108 0.884 ( -25.565 0.000 0.000) 25.565 1.420 ( -37.858 0.000 0.000) 37.858 2.100 ( -2.014 0.000 0.000) 2.014 2.258 ( -11.515 0.000 0.000) 11.515 3.316 ( 3.772 -0.000 -0.000) 3.772 5.029 ( -2.391 0.000 0.000) 2.391 5.663 ( 2.363 -0.000 -0.000) 2.363 5.710 ( 0.929 -0.000 -0.000) 0.929 6.314 ( 3.775 -0.000 -0.000) 3.775 6.974 ( 9.422 -0.000 -0.000) 9.422 8.293 ( 4.853 -0.000 -0.000) 4.853======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( -0.000 22.154 7.532) 23.399 1.004 ( -0.000 21.382 11.936) 24.488 1.609 ( -0.000 33.098 5.681) 33.582 2.049 ( 0.000 0.768 -5.551) 5.604 2.342 ( 0.000 15.406 -1.523) 15.481 3.274 ( 0.000 -5.059 -2.498) 5.642 5.039 ( 0.000 2.855 -0.236) 2.864 5.651 ( -0.000 -2.646 0.229) 2.656 5.700 ( 0.000 -1.467 -0.587) 1.580 6.196 ( 0.000 -1.885 -10.882) 11.044 6.956 ( -0.000 -10.765 4.980) 11.861 8.228 ( 0.000 -2.294 -8.439) 8.745======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( -2.037 20.407 10.331) 22.964 1.338 ( 5.878 21.606 2.242) 22.503 2.002 ( 9.458 17.594 6.657) 21.056 2.085 ( 5.251 2.689 -5.414) 8.007 2.550 ( 4.956 22.843 -4.024) 23.719 3.211 ( -0.392 -4.950 -1.299) 5.133 5.082 ( 1.433 3.405 0.186) 3.699 5.623 ( -0.439 -1.978 0.038) 2.027 5.669 ( -1.072 -2.788 -0.754) 3.081 6.161 ( 1.847 -3.535 -6.966) 8.027 6.833 ( -3.361 -11.665 5.362) 13.271 8.132 ( -4.743 -4.029 -7.882) 10.042======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 2.681 16.885 5.535) 17.970 1.626 ( 4.983 18.883 -1.692) 19.603 2.194 ( 7.832 4.364 -2.687) 9.360 2.275 ( 5.104 7.580 3.585) 9.817 2.871 ( 7.306 14.560 -9.082) 18.651 3.224 ( 5.838 5.101 6.355) 10.024 5.153 ( 2.526 3.864 0.913) 4.706 5.603 ( -1.035 -0.498 -0.632) 1.311 5.611 ( -1.328 -2.886 -0.782) 3.271 6.132 ( 1.165 -4.543 -3.930) 6.119 6.664 ( -5.437 -11.367 5.567) 13.776 7.952 ( -7.703 -5.470 -7.905) 12.319======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 5.532 12.706 0.543) 13.868 1.848 ( 3.496 13.809 -3.555) 14.682 2.361 ( 6.388 2.586 0.530) 6.911 2.433 ( 4.447 11.012 1.296) 11.947 2.930 ( -0.018 -1.784 -4.371) 4.721 3.553 ( 13.295 14.798 4.547) 20.406 5.238 ( 2.295 4.201 1.532) 5.026 5.543 ( -1.722 -2.388 -1.272) 3.207 5.613 ( 0.397 2.077 -0.905) 2.300 6.084 ( -0.442 -4.265 -2.393) 4.910 6.469 ( -7.348 -10.282 4.284) 13.344 7.744 ( -6.923 -6.179 -6.608) 11.392======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 6.358 9.734 -1.623) 11.739 1.994 ( 2.827 9.229 -4.874) 10.813 2.458 ( 3.931 0.504 1.568) 4.262 2.609 ( 1.506 8.622 1.740) 8.924 2.905 ( -0.946 2.956 0.083) 3.105 3.872 ( 9.369 8.407 1.526) 12.680 5.311 ( 0.645 4.507 1.653) 4.844 5.506 ( 0.043 -1.149 -1.423) 1.829 5.652 ( 1.433 3.177 -0.996) 3.624 6.034 ( -1.064 -2.133 -0.336) 2.407 6.246 ( -8.890 -8.664 0.563) 12.426 7.582 ( -3.073 -6.068 -3.683) 7.735======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( 1.843 7.120 -0.948) 7.416 2.124 ( 6.490 6.760 -6.465) 11.385 2.517 ( 2.569 -0.637 1.074) 2.857 2.608 ( -4.261 -3.314 3.873) 6.644 2.974 ( -3.609 15.229 0.421) 15.657 4.038 ( 4.441 2.356 0.637) 5.067 5.355 ( -1.392 4.865 1.052) 5.168 5.511 ( 1.869 -0.770 -1.181) 2.341 5.712 ( 2.375 3.329 -0.510) 4.121 5.973 ( -8.631 -0.799 3.027) 9.181 6.064 ( 0.158 -5.552 -3.656) 6.650 7.501 ( 0.560 -5.324 -1.147) 5.475======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( -2.314 4.838 -0.197) 5.367 2.272 ( 5.206 3.113 -5.556) 8.226 2.491 ( -4.311 -4.901 3.484) 7.399 2.540 ( 1.232 -1.188 0.586) 1.809 3.018 ( -9.787 15.880 -0.702) 18.667 4.090 ( 0.752 -0.874 1.323) 1.755 5.364 ( -3.007 4.274 0.146) 5.228 5.533 ( 1.945 -1.841 0.008) 2.678 5.788 ( -0.954 4.789 -0.586) 4.918 5.826 ( -3.332 0.016 -0.568) 3.380 6.067 ( 3.459 -2.926 0.487) 4.557 7.484 ( 3.105 -4.224 0.247) 5.248======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( -5.722 1.800 0.679) 6.037 2.232 ( -7.251 -2.843 3.526) 8.550 2.452 ( 0.811 -2.154 -4.087) 4.690 2.575 ( 3.726 0.869 -0.089) 3.827 2.951 ( -12.748 11.690 -1.801) 17.389 4.048 ( -4.875 -2.739 1.533) 5.798 5.339 ( -3.700 2.497 -0.464) 4.488 5.532 ( 0.325 -2.016 0.943) 2.249 5.721 ( -4.641 1.680 0.392) 4.951 5.909 ( 3.418 6.074 -3.662) 7.873 6.123 ( 6.376 -2.458 2.506) 7.278 7.528 ( 6.039 -2.677 1.573) 6.790======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( -10.313 -2.520 2.080) 10.818 2.088 ( -9.527 0.088 4.154) 10.393 2.406 ( -2.046 -2.083 -3.419) 4.496 2.590 ( -6.818 1.849 -0.083) 7.065 2.885 ( -1.091 5.279 -2.172) 5.812 3.860 ( -14.233 -4.433 0.348) 14.911 5.289 ( -3.964 0.782 -0.513) 4.073 5.529 ( 0.856 -0.622 0.767) 1.306 5.667 ( -4.029 1.557 0.565) 4.356 6.007 ( 3.965 3.722 -2.931) 6.178 6.250 ( 9.159 -0.193 0.859) 9.202 7.650 ( 9.444 -0.646 2.918) 9.906======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( -14.621 -3.103 2.012) 15.081 1.917 ( -13.661 0.983 2.694) 13.959 2.327 ( -4.659 -0.973 -2.412) 5.336 2.420 ( -12.225 0.779 -0.017) 12.250 2.983 ( 7.134 1.615 0.259) 7.319 3.491 ( -24.065 -4.291 -1.194) 24.474 5.220 ( -4.416 -0.204 -0.288) 4.430 5.560 ( 2.788 0.211 0.353) 2.818 5.624 ( -2.437 0.898 0.261) 2.610 6.097 ( 4.517 1.394 -1.328) 4.910 6.418 ( 10.570 0.602 -0.622) 10.606 7.837 ( 11.294 0.619 2.654) 11.618======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( -18.301 0.000 0.000) 18.301 1.652 ( -19.193 0.000 0.000) 19.193 2.202 ( -9.821 0.000 0.000) 9.821 2.249 ( -8.007 0.000 0.000) 8.007 3.003 ( -29.617 0.000 0.000) 29.617 3.122 ( 7.603 -0.000 -0.000) 7.603 5.143 ( -4.279 0.000 0.000) 4.279 5.609 ( 0.001 -0.000 -0.000) 0.001 5.620 ( 3.799 -0.000 -0.000) 3.799 6.175 ( 4.351 -0.000 -0.000) 4.351 6.606 ( 11.475 -0.000 -0.000) 11.475 8.032 ( 10.445 -0.000 -0.000) 10.445======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( -0.000 19.722 4.681) 20.270 1.470 ( -0.000 18.898 10.489) 21.614 2.031 ( 0.000 2.042 -7.624) 7.893 2.118 ( -0.000 15.733 5.001) 16.509 2.728 ( 0.000 24.047 -7.460) 25.178 3.167 ( -0.000 -2.685 1.470) 3.062 5.106 ( -0.000 3.969 -0.001) 3.969 5.604 ( 0.000 -2.024 0.108) 2.027 5.647 ( 0.000 -3.318 -0.780) 3.409 6.085 ( 0.000 -3.884 -6.489) 7.563 6.756 ( -0.000 -12.709 4.482) 13.476 8.109 ( 0.000 -5.084 -6.281) 8.081======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -3.515 16.455 6.122) 17.906 1.726 ( 3.987 16.117 3.017) 16.875 2.097 ( 6.690 5.144 -5.993) 10.351 2.286 ( 3.589 8.564 3.415) 9.893 2.880 ( 1.744 6.071 -11.762) 13.351 3.255 ( 3.624 15.442 7.576) 17.578 5.159 ( 1.666 4.150 0.574) 4.508 5.594 ( 0.311 -1.197 -0.268) 1.265 5.603 ( -0.885 -2.726 -0.747) 2.961 6.043 ( 1.755 -4.853 -4.660) 6.953 6.626 ( -2.330 -12.424 3.915) 13.233 7.990 ( -5.315 -6.046 -5.744) 9.889======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( -0.552 12.464 2.116) 12.654 1.917 ( 2.589 11.446 -1.017) 11.779 2.282 ( 7.390 6.016 -0.851) 9.567 2.444 ( 6.213 9.149 1.106) 11.114 2.874 ( 1.640 -3.566 -5.763) 6.973 3.560 ( 7.176 19.650 4.528) 21.403 5.243 ( 2.777 4.366 1.682) 5.440 5.545 ( -1.677 -2.327 -1.183) 3.102 5.614 ( 1.227 1.520 -0.964) 2.178 6.012 ( 1.843 -5.311 -3.413) 6.576 6.470 ( -3.984 -11.281 3.435) 12.447 7.795 ( -8.092 -6.404 -5.190) 11.551======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 3.096 10.509 -0.316) 10.960 2.033 ( 1.393 7.519 -2.908) 8.181 2.404 ( 3.787 1.645 1.315) 4.334 2.650 ( 3.159 6.359 2.291) 7.461 2.900 ( 6.127 4.447 -2.032) 7.839 3.842 ( 5.985 12.209 1.698) 13.702 5.335 ( 2.197 3.969 2.608) 5.233 5.501 ( -1.036 -0.821 -1.467) 1.975 5.656 ( 1.413 3.121 -2.172) 4.057 5.985 ( 1.877 -4.020 -2.517) 5.101 6.296 ( -6.026 -9.417 2.454) 11.446 7.591 ( -6.584 -6.098 -3.673) 9.697======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 4.251 9.665 -0.990) 10.605 2.103 ( 1.448 5.010 -3.494) 6.277 2.470 ( 2.756 -0.008 1.386) 3.085 2.643 ( -3.039 -4.324 3.273) 6.216 3.135 ( 5.081 17.559 -0.037) 18.280 3.996 ( 3.239 3.623 0.241) 4.866 5.404 ( 0.963 3.292 2.286) 4.122 5.488 ( 0.187 0.216 -0.970) 1.012 5.698 ( 1.561 2.039 -2.920) 3.888 5.988 ( 2.215 -1.640 -2.137) 3.487 6.109 ( -7.860 -5.636 1.951) 9.867 7.452 ( -2.221 -5.460 -1.671) 6.127======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( -1.601 7.376 0.246) 7.551 2.192 ( 5.830 4.304 -5.215) 8.928 2.503 ( 1.177 -2.308 2.411) 3.539 2.534 ( -4.457 -4.957 2.223) 7.027 3.324 ( -5.085 19.135 -0.233) 19.800 4.045 ( 2.660 -2.334 0.632) 3.595 5.439 ( -1.260 2.954 0.596) 3.267 5.497 ( 0.787 -0.195 0.036) 0.812 5.743 ( 4.863 -1.092 -2.390) 5.528 5.934 ( -6.216 -0.639 -0.076) 6.250 6.027 ( 0.005 0.865 0.582) 1.043 7.397 ( 1.617 -4.670 -0.335) 4.954======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( -5.332 4.717 0.378) 7.129 2.279 ( 0.560 0.736 -3.076) 3.212 2.414 ( -1.472 -4.594 1.710) 5.118 2.528 ( 1.985 -0.213 0.238) 2.011 3.311 ( -14.698 13.491 -0.951) 19.973 4.058 ( 1.202 -3.036 1.372) 3.542 5.417 ( -3.590 1.265 -0.520) 3.842 5.506 ( 0.958 -1.046 0.415) 1.478 5.798 ( 1.209 -1.742 0.489) 2.176 5.897 ( 0.648 6.196 -1.647) 6.444 6.036 ( 1.294 -1.224 0.878) 1.986 7.410 ( 4.599 -3.329 0.429) 5.693======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( -9.619 0.537 0.418) 9.643 2.220 ( -5.237 -0.379 1.776) 5.543 2.391 ( 0.284 -1.505 -2.104) 2.602 2.588 ( 4.336 0.481 -0.203) 4.368 3.122 ( -16.974 5.582 -0.764) 17.884 4.005 ( -6.013 -1.838 0.767) 6.334 5.358 ( -3.808 0.196 -0.434) 3.837 5.512 ( 0.656 -0.595 0.405) 0.973 5.766 ( -4.578 1.526 1.031) 4.935 5.977 ( 2.334 2.790 -2.726) 4.545 6.098 ( 7.990 -1.284 1.460) 8.223 7.494 ( 8.057 -1.331 0.835) 8.209======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -11.977 0.000 0.000) 11.977 2.109 ( -8.634 0.000 0.000) 8.634 2.369 ( -1.712 0.000 0.000) 1.712 2.609 ( -5.689 0.000 0.000) 5.689 2.936 ( -4.224 0.000 0.000) 4.224 3.813 ( -15.995 0.000 0.000) 15.995 5.292 ( -4.175 0.000 0.000) 4.175 5.526 ( 1.364 -0.000 -0.000) 1.364 5.692 ( -4.746 0.000 0.000) 4.746 6.033 ( 3.631 -0.000 -0.000) 3.631 6.249 ( 9.780 -0.000 -0.000) 9.780 7.652 ( 10.933 -0.000 -0.000) 10.933======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( -0.000 14.530 -0.408) 14.536 1.805 ( -0.000 7.732 5.162) 9.297 2.084 ( 0.000 10.284 -4.875) 11.381 2.341 ( -0.000 6.438 1.925) 6.719 2.840 ( 0.000 -3.137 -8.638) 9.190 3.446 ( -0.000 23.481 6.184) 24.282 5.181 ( -0.000 3.305 0.304) 3.319 5.580 ( 0.000 -2.816 -0.481) 2.856 5.586 ( 0.000 0.456 -0.109) 0.469 5.966 ( 0.000 -5.031 -3.496) 6.126 6.536 ( -0.000 -11.871 2.231) 12.079 7.959 ( 0.000 -6.791 -4.462) 8.126======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( -2.315 6.253 -1.186) 6.773 1.955 ( 3.487 7.376 -2.205) 8.451 2.253 ( 5.515 11.976 0.074) 13.185 2.425 ( 4.302 5.547 -0.395) 7.031 2.789 ( 1.052 -4.930 -2.720) 5.728 3.704 ( 1.996 21.385 4.007) 21.849 5.235 ( 2.816 2.844 0.850) 4.091 5.547 ( -1.083 -1.505 -0.755) 2.002 5.606 ( 0.978 1.923 -0.322) 2.182 5.920 ( 1.411 -5.390 -2.178) 5.983 6.418 ( -1.793 -10.309 1.129) 10.524 7.834 ( -5.201 -6.866 -3.747) 9.393======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 1.980 6.172 -2.212) 6.849 2.050 ( 2.744 4.004 -3.392) 5.922 2.390 ( 1.735 4.280 1.540) 4.868 2.643 ( 7.383 8.419 1.468) 11.294 2.785 ( 7.010 -1.120 -0.718) 7.135 3.921 ( 1.411 14.673 1.883) 14.860 5.327 ( 3.785 2.750 1.956) 5.070 5.514 ( -1.411 0.019 -1.336) 1.944 5.651 ( 1.701 3.002 -1.407) 3.726 5.896 ( 2.482 -4.934 -1.210) 5.654 6.286 ( -3.339 -8.609 0.568) 9.251 7.648 ( -7.611 -5.911 -2.885) 10.059======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 5.099 6.576 -2.278) 8.627 2.114 ( 2.178 2.966 -1.955) 4.167 2.447 ( 1.383 1.774 1.361) 2.629 2.658 ( -2.578 -3.651 3.095) 5.436 3.100 ( 16.199 12.500 -0.093) 20.462 4.031 ( -1.265 6.687 0.236) 6.809 5.408 ( 2.286 1.934 2.230) 3.733 5.496 ( -0.722 0.844 -0.828) 1.385 5.691 ( 0.209 1.900 -3.339) 3.847 5.915 ( 4.376 -1.752 -0.617) 4.754 6.148 ( -4.212 -6.632 0.788) 7.896 7.471 ( -6.155 -4.383 -1.685) 7.742======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.124 ( 5.583 3.947 -3.432) 7.650 2.176 ( 1.237 5.361 0.458) 5.521 2.478 ( 0.686 -0.236 1.550) 1.711 2.563 ( -4.368 -4.856 2.077) 6.853 3.470 ( 10.447 15.294 0.561) 18.530 4.012 ( -3.335 -1.776 -0.364) 3.796 5.460 ( 0.988 1.926 0.079) 2.166 5.502 ( 0.635 0.769 1.687) 1.960 5.665 ( -0.699 -2.925 -3.624) 4.709 5.976 ( 1.201 1.912 -1.577) 2.754 6.050 ( -1.521 -2.429 2.014) 3.503 7.359 ( -2.297 -3.211 -0.638) 3.999======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( 1.054 1.431 -0.235) 1.792 2.271 ( 1.448 7.344 -2.913) 8.032 2.410 ( -4.461 -7.307 3.319) 9.182 2.508 ( 0.363 -0.093 -0.125) 0.395 3.658 ( -9.608 14.059 -0.245) 17.030 3.951 ( 5.517 -7.296 0.451) 9.159 5.473 ( -0.666 0.646 -0.398) 1.009 5.507 ( -2.875 0.740 0.549) 3.019 5.666 ( 7.352 -3.227 -0.866) 8.076 5.972 ( -1.803 2.194 0.076) 2.841 6.044 ( -1.113 0.453 0.118) 1.208 7.328 ( 1.699 -1.966 -0.060) 2.599======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( -7.530 0.000 0.000) 7.530 2.275 ( -2.392 0.000 0.000) 2.392 2.363 ( 1.800 -0.000 -0.000) 1.800 2.528 ( 2.444 -0.000 -0.000) 2.444 3.456 ( -18.234 0.000 0.000) 18.234 4.022 ( 3.021 -0.000 -0.000) 3.021 5.423 ( -4.102 0.000 0.000) 4.102 5.498 ( 0.754 -0.000 -0.000) 0.754 5.781 ( 5.314 -0.000 -0.000) 5.314 5.973 ( -0.093 0.000 0.000) 0.093 6.015 ( -0.251 0.000 0.000) 0.251 7.376 ( 5.126 -0.000 -0.000) 5.126======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 0.000 0.204 -2.285) 2.294 1.959 ( 0.000 4.746 -8.466) 9.705 2.333 ( -0.000 13.059 1.344) 13.128 2.420 ( 0.000 2.547 -1.329) 2.873 2.744 ( -0.000 -3.050 2.646) 4.038 3.897 ( -0.000 18.408 3.073) 18.662 5.226 ( -0.000 1.147 0.308) 1.187 5.545 ( 0.000 -0.269 -0.528) 0.593 5.623 ( -0.000 3.128 -0.123) 3.131 5.852 ( 0.000 -5.460 -0.234) 5.465 6.346 ( 0.000 -7.784 -0.636) 7.810 7.801 ( 0.000 -6.939 -2.809) 7.486======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 1.597 1.461 -3.276) 3.926 1.991 ( 4.140 -0.101 -7.708) 8.750 2.425 ( -0.133 4.044 0.585) 4.089 2.557 ( 10.609 8.928 -0.298) 13.869 2.729 ( -0.665 -1.993 4.586) 5.044 4.057 ( -0.266 12.823 1.747) 12.945 5.275 ( 4.367 0.926 0.591) 4.503 5.537 ( -1.134 1.107 -1.159) 1.963 5.659 ( 0.612 3.203 -0.102) 3.262 5.812 ( 1.367 -5.337 0.936) 5.588 6.262 ( -2.160 -5.314 -1.361) 5.896 7.689 ( -4.559 -5.816 -2.051) 7.669======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 5.243 2.949 -2.501) 6.514 2.051 ( 5.660 -0.711 -3.533) 6.710 2.457 ( 0.377 2.010 0.386) 2.081 2.691 ( -2.872 -1.207 3.419) 4.625 2.889 ( 18.188 7.016 0.178) 19.495 4.136 ( -2.303 6.864 0.544) 7.261 5.371 ( 4.764 0.998 1.164) 5.005 5.523 ( -1.578 1.418 -1.295) 2.486 5.701 ( 0.683 2.669 -1.297) 3.045 5.810 ( 4.155 -3.889 1.361) 5.852 6.161 ( -4.030 -3.959 -1.078) 5.751 7.541 ( -6.609 -3.611 -1.225) 7.631======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 5.849 1.862 -1.735) 6.378 2.144 ( 5.971 1.047 -0.300) 6.070 2.479 ( 0.433 0.762 0.297) 0.926 2.617 ( -5.115 -1.712 1.796) 5.685 3.284 ( 20.833 5.259 0.227) 21.488 4.110 ( -6.081 1.836 -0.096) 6.353 5.446 ( 3.061 1.126 0.766) 3.351 5.503 ( -1.248 -0.090 -0.206) 1.268 5.689 ( -3.307 0.056 -1.659) 3.701 5.907 ( 7.957 0.234 0.329) 7.967 6.061 ( -3.388 -2.439 -0.045) 4.175 7.406 ( -5.807 -1.551 -0.474) 6.029======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 4.499 -0.000 -0.000) 4.499 2.250 ( 5.092 -0.000 -0.000) 5.092 2.475 ( -3.368 0.000 0.000) 3.368 2.518 ( -3.535 0.000 0.000) 3.535 3.650 ( 18.281 -0.000 -0.000) 18.281 3.968 ( -11.305 0.000 0.000) 11.305 5.480 ( -0.709 0.000 0.000) 0.709 5.527 ( 5.666 -0.000 -0.000) 5.666 5.602 ( -5.673 0.000 0.000) 5.673 6.006 ( -1.775 0.000 0.000) 1.775 6.025 ( 4.361 -0.000 -0.000) 4.361 7.325 ( -2.544 0.000 0.000) 2.544======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 0.000 -0.237 -2.082) 2.096 1.902 ( 0.000 -2.266 -9.267) 9.541 2.456 ( 0.000 1.646 -0.293) 1.672 2.543 ( -0.000 7.270 1.213) 7.371 2.744 ( -0.000 -0.289 4.404) 4.414 4.170 ( -0.000 8.468 1.104) 8.539 5.237 ( -0.000 0.060 0.117) 0.132 5.561 ( 0.000 2.291 -1.331) 2.650 5.685 ( -0.000 2.777 -0.015) 2.777 5.753 ( -0.000 -5.444 2.393) 5.947 6.242 ( 0.000 -2.183 -1.782) 2.818 7.670 ( 0.000 -4.732 -1.341) 4.918======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 3.778 1.130 -1.315) 4.157 1.914 ( 6.050 -2.318 -4.109) 7.672 2.468 ( 0.112 0.906 -0.013) 0.912 2.689 ( 10.629 3.716 0.246) 11.263 2.738 ( -1.852 -0.169 2.555) 3.160 4.222 ( -1.252 3.852 0.401) 4.071 5.286 ( 5.285 0.147 0.179) 5.290 5.565 ( -1.702 1.942 -1.222) 2.857 5.706 ( 0.696 0.834 0.582) 1.232 5.732 ( 1.620 -2.872 1.145) 3.491 6.198 ( -3.125 -0.959 -1.076) 3.441 7.598 ( -3.842 -2.382 -0.642) 4.566======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 5.785 -0.000 -0.000) 5.785 2.022 ( 8.153 -0.000 -0.000) 8.153 2.476 ( 0.335 -0.000 -0.000) 0.335 2.692 ( -3.922 0.000 0.000) 3.922 2.962 ( 18.980 -0.000 -0.000) 18.980 4.202 ( -3.428 0.000 0.000) 3.428 5.384 ( 5.243 -0.000 -0.000) 5.243 5.536 ( -2.301 0.000 0.000) 2.301 5.726 ( -0.846 0.000 0.000) 0.846 5.772 ( 6.439 -0.000 -0.000) 6.439 6.120 ( -4.762 0.000 0.000) 4.762 7.501 ( -6.044 0.000 0.000) 6.044======================= 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 4.65e-08 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -0.000 0.000 0.000) 0.000 1.840 ( -0.000 0.000 0.000) 0.000 2.471 ( -0.000 0.000 0.000) 0.000 2.618 ( -0.000 0.000 0.000) 0.000 2.759 ( -0.000 0.000 0.000) 0.000 4.252 ( -0.000 0.000 0.000) 0.000 5.237 ( -0.000 0.000 0.000) 0.000 5.593 ( -0.000 0.000 0.000) 0.000 5.694 ( -0.000 0.000 0.000) 0.000 5.714 ( -0.000 0.000 0.000) 0.000 6.221 ( -0.000 0.000 0.000) 0.000 7.618 ( -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 4.65e-08 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.222 ( -0.000 0.000 23.324) 23.324 0.222 ( -0.000 0.000 23.324) 23.324 0.370 ( -0.000 0.000 39.007) 39.007 2.060 ( 0.000 -0.000 -2.281) 2.281 2.060 ( 0.000 -0.000 -2.281) 2.281 3.829 ( 0.000 -0.000 -5.983) 5.983 4.989 ( -0.000 0.000 0.148) 0.148 4.989 ( -0.000 0.000 0.148) 0.148 5.711 ( 0.000 -0.000 -0.011) 0.011 5.711 ( 0.000 -0.000 -0.011) 0.011 7.158 ( -0.000 0.000 1.821) 1.821 7.962 ( 0.000 -0.000 -0.576) 0.576======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.444 ( 15.326 8.848 7.948) 19.400 0.489 ( 13.560 7.829 13.397) 20.607 1.036 ( 33.490 19.336 20.028) 43.550 2.078 ( 1.495 0.863 -1.626) 2.371 2.098 ( 4.621 2.668 -4.575) 7.029 3.377 ( -5.895 -3.403 1.735) 7.024 5.007 ( 1.384 0.799 0.457) 1.662 5.691 ( -1.650 -0.953 -0.166) 1.912 5.714 ( 0.249 0.144 -0.241) 0.375 6.142 ( 15.968 9.219 -29.706) 34.963 7.126 ( -4.759 -2.747 4.926) 7.379 8.172 ( 4.509 2.604 -18.712) 19.423======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( 17.645 10.187 1.855) 20.459 0.849 ( 15.685 9.056 3.429) 18.433 1.800 ( 27.600 15.935 14.806) 35.141 2.117 ( 2.417 1.395 -0.859) 2.920 2.250 ( 12.108 6.991 -7.593) 15.910 3.286 ( -2.891 -1.669 -2.066) 3.926 5.053 ( 2.574 1.486 0.607) 3.033 5.643 ( -2.390 -1.380 -0.263) 2.772 5.704 ( -1.358 -0.784 -0.366) 1.610 6.236 ( 1.723 0.995 -8.908) 9.127 6.991 ( -8.720 -5.035 7.439) 12.519 8.114 ( -3.607 -2.083 -14.678) 15.258======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 15.254 8.807 -2.883) 17.848 1.222 ( 16.498 9.525 -0.751) 19.066 2.182 ( 3.549 2.049 0.096) 4.099 2.218 ( 9.237 5.333 4.926) 11.748 2.671 ( 23.075 13.323 -5.138) 27.136 3.250 ( 1.087 0.628 2.509) 2.805 5.122 ( 3.225 1.862 0.615) 3.774 5.593 ( -1.668 -0.963 -0.311) 1.951 5.648 ( -3.256 -1.880 -0.823) 3.848 6.213 ( -1.909 -1.102 -2.733) 3.511 6.797 ( -10.709 -6.183 7.968) 14.710 7.953 ( -6.300 -3.638 -13.092) 14.977======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 14.390 8.308 -7.085) 18.064 1.546 ( 12.610 7.280 -2.319) 14.744 2.279 ( 5.087 2.937 1.119) 5.980 2.386 ( 5.862 3.385 1.459) 6.925 2.945 ( 2.331 1.346 -4.594) 5.324 3.474 ( 16.469 9.509 6.384) 20.060 5.189 ( 2.392 1.381 0.511) 2.809 5.572 ( -2.805 -1.620 -0.847) 3.348 5.579 ( 0.685 0.396 -0.284) 0.841 6.137 ( -4.233 -2.444 -0.365) 4.901 6.564 ( -11.970 -6.911 4.667) 14.589 7.780 ( -5.528 -3.191 -9.463) 11.415======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( 7.420 4.284 -2.793) 9.011 1.797 ( 13.660 7.887 -9.130) 18.225 2.409 ( 5.812 3.356 1.597) 6.898 2.498 ( 3.891 2.246 0.442) 4.514 2.897 ( -4.687 -2.706 1.659) 5.660 3.834 ( 12.588 7.268 2.790) 14.801 5.225 ( 0.780 0.450 0.299) 0.949 5.535 ( -0.154 -0.089 -0.751) 0.771 5.621 ( 2.800 1.617 -0.144) 3.236 6.033 ( -5.604 -3.235 3.228) 7.231 6.311 ( -10.009 -5.778 -2.311) 11.786 7.659 ( -3.352 -1.935 -4.475) 5.917======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 3.473 2.005 -2.155) 4.552 2.062 ( 12.633 7.294 -9.458) 17.385 2.526 ( 3.718 2.146 1.302) 4.486 2.557 ( 1.243 0.718 -1.005) 1.752 2.770 ( -7.254 -4.188 5.429) 9.981 4.036 ( 5.322 3.072 1.436) 6.310 5.234 ( 0.089 0.051 0.116) 0.155 5.561 ( 2.675 1.544 -1.224) 3.322 5.683 ( 2.319 1.339 -0.015) 2.678 5.883 ( -8.885 -5.130 4.460) 11.187 6.167 ( -1.576 -0.910 -4.233) 4.607 7.597 ( -1.506 -0.870 -1.160) 2.091======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 0.801 0.463 -0.930) 1.312 2.272 ( 6.387 3.687 -6.307) 9.704 2.545 ( -0.729 -0.421 -0.820) 1.176 2.567 ( -0.492 -0.284 0.609) 0.833 2.642 ( -4.630 -2.673 2.933) 6.098 4.098 ( -0.002 -0.001 1.843) 1.843 5.234 ( -0.029 -0.017 0.026) 0.042 5.635 ( 2.671 1.542 -1.032) 3.252 5.710 ( 0.005 0.003 0.038) 0.038 5.721 ( -4.019 -2.320 0.475) 4.665 6.171 ( 1.672 0.965 0.185) 1.939 7.585 ( 0.589 0.340 0.481) 0.833======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -1.870 -1.080 0.823) 2.311 2.208 ( -9.553 -5.515 4.740) 12.006 2.507 ( -4.747 -2.741 -0.538) 5.508 2.561 ( -3.363 -1.942 -0.628) 3.934 2.647 ( 9.185 5.303 -6.414) 12.394 4.040 ( -6.287 -3.630 1.799) 7.479 5.232 ( -0.187 -0.108 -0.020) 0.217 5.580 ( -3.239 -1.870 0.676) 3.800 5.683 ( -2.276 -1.314 0.052) 2.629 5.804 ( 7.364 4.252 -3.597) 9.233 6.229 ( 3.318 1.915 2.275) 4.455 7.632 ( 3.435 1.983 2.313) 4.592======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -6.245 -3.606 3.344) 7.949 1.967 ( -13.343 -7.704 7.810) 17.273 2.369 ( -6.535 -3.773 -2.401) 7.919 2.470 ( -4.477 -2.585 -2.042) 5.558 2.842 ( 9.144 5.279 -4.288) 11.396 3.805 ( -15.377 -8.878 0.073) 17.756 5.221 ( -0.975 -0.563 -0.116) 1.132 5.545 ( 0.119 0.069 0.359) 0.384 5.623 ( -2.681 -1.548 0.101) 3.097 5.961 ( 7.385 4.264 -4.078) 9.453 6.341 ( 6.272 3.621 0.922) 7.301 7.754 ( 6.383 3.685 4.820) 8.806======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -12.840 -7.413 5.759) 15.906 1.667 ( -15.828 -9.138 8.308) 20.076 2.230 ( -4.581 -2.645 -3.994) 6.628 2.340 ( -6.899 -3.983 -2.485) 8.345 3.016 ( 6.404 3.697 0.866) 7.445 3.363 ( -22.713 -13.113 -3.581) 26.470 5.181 ( -2.596 -1.499 -0.315) 3.014 5.583 ( 2.888 1.667 0.281) 3.347 5.584 ( -0.574 -0.331 0.227) 0.700 6.097 ( 5.889 3.400 -4.258) 8.024 6.509 ( 8.635 4.985 -0.920) 10.013 7.936 ( 8.043 4.644 6.084) 11.103======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -17.665 -10.199 7.066) 21.587 1.314 ( -18.061 -10.428 8.004) 22.338 2.113 ( -14.149 -8.169 -4.116) 16.848 2.142 ( -2.365 -1.365 -4.042) 4.878 2.768 ( -24.921 -14.388 3.072) 28.940 3.187 ( 5.748 3.319 -3.331) 7.426 5.111 ( -3.304 -1.908 -0.480) 3.845 5.600 ( 1.674 0.967 0.321) 1.960 5.656 ( 3.081 1.779 -0.029) 3.558 6.198 ( 4.533 2.617 -4.332) 6.795 6.713 ( 9.689 5.594 -0.589) 11.203 8.129 ( 7.278 4.202 4.515) 9.540======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -19.412 -11.207 8.752) 24.063 0.918 ( -19.541 -11.282 8.084) 23.968 1.602 ( -30.187 -17.428 -4.004) 35.086 2.092 ( -1.185 -0.684 -3.492) 3.750 2.341 ( -13.218 -7.632 1.790) 15.368 3.292 ( 3.990 2.304 -1.208) 4.764 5.043 ( -2.500 -1.444 -0.456) 2.923 5.648 ( 2.315 1.336 0.296) 2.689 5.705 ( 1.225 0.707 -0.283) 1.442 6.277 ( 3.752 2.166 -5.512) 7.011 6.925 ( 8.866 5.119 1.291) 10.318 8.271 ( 4.480 2.586 -0.195) 5.176======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -0.000 22.110 9.384) 24.019 0.652 ( -0.000 19.010 17.007) 25.508 0.987 ( -0.000 31.122 22.354) 38.318 2.028 ( 0.000 -0.278 -5.038) 5.046 2.125 ( 0.000 7.336 -2.720) 7.825 3.380 ( -0.000 -8.790 0.827) 8.829 4.999 ( -0.000 1.222 -0.014) 1.222 5.695 ( -0.000 -1.683 0.118) 1.688 5.710 ( 0.000 0.129 -0.540) 0.555 6.020 ( 0.000 22.381 -31.147) 38.354 7.139 ( -0.000 -5.394 4.985) 7.345 8.142 ( 0.000 8.214 -16.791) 18.693======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.220 17.384 15.667) 23.404 0.891 ( 4.493 24.257 2.992) 24.850 1.598 ( 23.164 24.757 15.977) 37.479 2.047 ( 4.243 -0.004 -5.427) 6.889 2.216 ( 2.174 11.156 -4.452) 12.207 3.289 ( -1.740 -4.290 -3.227) 5.643 5.032 ( 1.842 1.765 0.307) 2.569 5.662 ( -1.575 -1.849 -0.061) 2.429 5.705 ( -0.278 -1.091 -0.496) 1.231 6.144 ( 5.572 3.586 -14.807) 16.222 7.055 ( -4.038 -8.497 7.108) 11.791 8.120 ( -3.084 1.582 -14.775) 15.176======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 6.799 14.503 8.315) 18.047 1.216 ( 6.942 21.671 -0.785) 22.770 2.118 ( 8.320 4.135 1.369) 9.391 2.144 ( 8.913 6.743 3.847) 11.820 2.472 ( 15.737 19.828 -5.343) 25.872 3.235 ( 0.476 -1.843 -1.003) 2.152 5.093 ( 2.817 2.455 0.629) 3.789 5.615 ( -1.957 -1.139 -0.272) 2.281 5.667 ( -1.904 -2.596 -0.874) 3.336 6.182 ( 2.224 -1.709 -6.190) 6.795 6.897 ( -6.996 -9.860 8.545) 14.805 7.988 ( -6.505 -1.889 -13.597) 15.191======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( 9.439 11.215 0.965) 14.690 1.521 ( 6.855 17.816 -2.641) 19.271 2.251 ( 5.333 5.799 -1.180) 7.966 2.321 ( 5.518 3.769 1.820) 6.925 2.864 ( 9.317 7.729 -6.229) 13.614 3.344 ( 11.370 7.634 6.024) 14.961 5.171 ( 2.720 3.003 0.827) 4.135 5.581 ( -1.260 -0.611 -0.635) 1.537 5.598 ( -2.264 -1.846 -0.894) 3.055 6.152 ( -1.043 -3.286 -3.026) 4.587 6.687 ( -9.686 -10.074 7.321) 15.776 7.809 ( -6.314 -3.412 -10.961) 13.102======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 10.245 8.544 -3.225) 13.724 1.759 ( 4.997 13.022 -4.260) 14.584 2.401 ( 3.561 9.135 0.980) 9.853 2.443 ( 5.421 2.117 0.150) 5.822 2.922 ( -0.648 -1.462 -1.584) 2.251 3.700 ( 14.197 9.886 4.058) 17.769 5.236 ( 0.841 3.296 0.808) 3.497 5.532 ( -1.028 -1.797 -1.066) 2.328 5.601 ( 1.388 1.909 -0.323) 2.382 6.081 ( -2.545 -2.792 -0.764) 3.854 6.424 ( -11.908 -9.289 2.064) 15.243 7.665 ( -3.259 -3.838 -5.996) 7.830======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 6.192 5.772 -2.688) 8.882 1.940 ( 7.130 9.916 -7.248) 14.202 2.515 ( 2.887 1.831 0.711) 3.492 2.554 ( 1.538 7.467 0.412) 7.635 2.859 ( -4.579 -1.660 2.467) 5.460 3.969 ( 7.977 5.037 2.031) 9.650 5.268 ( -1.217 3.778 0.524) 4.003 5.522 ( 1.623 -0.686 -1.146) 2.102 5.659 ( 2.605 2.330 0.050) 3.495 6.007 ( -6.187 -1.874 4.266) 7.745 6.168 ( -6.115 -6.293 -5.000) 10.099 7.586 ( -0.605 -3.696 -1.900) 4.200======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 0.830 3.937 -1.471) 4.284 2.148 ( 9.752 6.962 -8.681) 14.796 2.546 ( 0.006 -0.777 -1.385) 1.588 2.591 ( -2.458 0.039 3.988) 4.685 2.780 ( -7.079 5.512 1.698) 9.131 4.090 ( 2.581 1.290 2.088) 3.561 5.277 ( -2.243 4.052 0.245) 4.638 5.560 ( 3.826 -0.768 -1.099) 4.054 5.718 ( 1.302 2.447 0.134) 2.775 5.835 ( -9.781 -1.807 1.258) 10.026 6.120 ( 3.281 -2.076 -1.451) 4.145 7.556 ( 1.282 -2.941 -0.007) 3.209======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( -1.680 2.095 -0.399) 2.715 2.274 ( 0.038 -0.045 -3.674) 3.675 2.492 ( -0.827 -3.236 -0.380) 3.361 2.573 ( 1.025 -0.342 1.247) 1.650 2.723 ( -8.997 9.522 -1.632) 13.201 4.098 ( -2.677 -1.606 2.554) 4.033 5.274 ( -2.557 3.535 0.075) 4.363 5.589 ( 0.509 -3.399 0.617) 3.492 5.702 ( -3.142 0.017 -0.770) 3.235 5.781 ( 1.350 5.809 -1.946) 6.273 6.172 ( 4.585 -1.437 1.578) 5.058 7.577 ( 3.876 -1.597 1.234) 4.370======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( -4.705 -1.327 1.556) 5.130 2.140 ( -10.410 -3.986 4.287) 11.943 2.435 ( -3.185 -2.551 -3.134) 5.145 2.560 ( -7.486 1.116 0.640) 7.596 2.742 ( 5.247 7.549 -5.129) 10.528 3.963 ( -10.973 -5.341 1.753) 12.330 5.258 ( -2.657 2.096 -0.004) 3.384 5.550 ( -0.925 -1.340 0.563) 1.723 5.656 ( -2.687 -0.669 -0.036) 2.769 5.892 ( 5.135 6.183 -3.746) 8.867 6.259 ( 6.262 0.038 1.541) 6.449 7.669 ( 7.247 0.055 2.962) 7.829======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -10.263 -7.535 4.782) 13.600 1.926 ( -13.886 -1.262 5.090) 14.844 2.319 ( -7.340 0.039 -3.932) 8.327 2.421 ( -7.988 -1.228 -0.562) 8.102 2.916 ( 8.762 4.643 -3.216) 10.425 3.626 ( -21.155 -9.054 0.164) 23.012 5.221 ( -3.213 0.152 -0.043) 3.217 5.554 ( 1.768 0.457 0.290) 1.849 5.608 ( -2.268 0.242 0.129) 2.285 6.024 ( 5.554 4.529 -4.076) 8.245 6.395 ( 8.657 1.806 0.223) 8.846 7.833 ( 9.731 1.358 3.943) 10.587======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( -15.564 -10.841 6.474) 20.042 1.662 ( -18.873 -0.582 4.805) 19.483 2.194 ( -6.308 0.838 -4.428) 7.753 2.258 ( -9.787 -2.408 -0.661) 10.101 3.087 ( 6.764 2.968 1.070) 7.464 3.110 ( -26.903 -9.979 -3.071) 28.858 5.155 ( -3.901 -1.060 -0.124) 4.044 5.594 ( 0.301 1.007 0.216) 1.073 5.612 ( 3.279 0.980 -0.107) 3.424 6.133 ( 4.673 3.107 -4.216) 7.019 6.581 ( 10.624 2.698 0.491) 10.973 8.025 ( 9.813 1.367 2.375) 10.189======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -18.324 -10.612 7.320) 22.404 1.314 ( -22.765 -1.894 3.134) 23.058 1.963 ( -21.896 -3.271 1.092) 22.166 2.128 ( -4.098 1.870 -3.564) 5.744 2.571 ( -23.269 -6.520 -0.495) 24.170 3.223 ( 5.871 1.734 -1.231) 6.244 5.081 ( -3.512 -0.718 -0.094) 3.586 5.622 ( 1.869 0.769 0.148) 2.026 5.675 ( 2.912 0.425 -0.368) 2.966 6.218 ( 3.849 2.437 -4.720) 6.560 6.795 ( 11.214 2.270 2.392) 11.689 8.180 ( 7.451 -0.108 -2.148) 7.755======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -0.000 21.246 6.817) 22.313 1.126 ( -0.000 19.816 13.471) 23.961 1.705 ( -0.000 28.983 14.001) 32.187 1.988 ( 0.000 0.254 -7.383) 7.387 2.312 ( 0.000 14.945 -4.958) 15.746 3.244 ( 0.000 -4.856 -3.971) 6.273 5.038 ( -0.000 2.836 0.026) 2.836 5.652 ( 0.000 -2.637 0.121) 2.639 5.694 ( 0.000 -1.586 -0.817) 1.784 6.084 ( 0.000 2.736 -12.380) 12.679 7.014 ( -0.000 -11.214 6.929) 13.182 8.123 ( 0.000 0.817 -13.073) 13.099======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( -1.910 18.290 9.851) 20.861 1.368 ( 1.888 21.726 5.079) 22.392 2.018 ( 5.639 1.436 -6.952) 9.066 2.089 ( 9.765 14.935 9.591) 20.258 2.497 ( 4.780 21.752 -7.005) 23.347 3.198 ( 0.706 -2.235 -1.455) 2.759 5.085 ( 1.723 3.463 0.418) 3.890 5.623 ( -0.609 -1.996 -0.087) 2.089 5.661 ( -1.088 -2.875 -1.014) 3.237 6.092 ( 3.089 -1.481 -7.303) 8.067 6.893 ( -2.912 -12.719 7.274) 14.939 8.037 ( -5.158 -1.404 -11.830) 12.981======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 0.276 15.256 5.666) 16.276 1.620 ( 2.988 19.059 0.957) 19.316 2.160 ( 9.482 4.805 -4.222) 11.438 2.308 ( 4.055 6.332 2.829) 8.034 2.789 ( 7.667 12.121 -8.024) 16.434 3.280 ( 7.291 8.368 5.261) 12.282 5.162 ( 2.747 4.135 1.105) 5.086 5.595 ( -1.828 -1.775 -0.977) 2.729 5.603 ( -0.783 -1.822 -0.792) 2.136 6.092 ( 2.017 -4.016 -4.448) 6.323 6.724 ( -5.215 -12.841 7.105) 15.575 7.866 ( -7.865 -3.104 -10.275) 13.306======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 3.551 12.317 0.802) 12.844 1.823 ( 2.195 13.732 -1.531) 13.990 2.360 ( 7.562 3.975 -0.497) 8.557 2.443 ( 4.142 10.482 0.521) 11.283 2.888 ( 2.270 -0.189 -4.249) 4.822 3.596 ( 12.219 13.197 4.429) 18.522 5.254 ( 2.223 4.692 1.715) 5.468 5.530 ( -1.731 -2.495 -1.332) 3.316 5.604 ( 0.463 1.651 -1.038) 2.004 6.057 ( 0.384 -4.183 -3.296) 5.339 6.512 ( -8.429 -11.549 4.772) 15.074 7.679 ( -6.091 -4.317 -6.940) 10.193======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 5.561 10.307 -1.485) 11.805 1.954 ( 1.602 9.334 -3.314) 10.033 2.467 ( 3.903 0.744 0.207) 3.979 2.626 ( 1.814 10.016 1.810) 10.339 2.902 ( 0.443 2.820 -0.704) 2.940 3.889 ( 8.873 7.394 2.015) 11.725 5.328 ( 0.141 5.029 1.758) 5.329 5.493 ( 0.108 -1.259 -1.334) 1.838 5.642 ( 1.993 2.552 -1.018) 3.394 6.023 ( 0.847 -2.467 -1.880) 3.215 6.254 ( -11.330 -8.675 1.032) 14.307 7.551 ( -1.916 -5.091 -2.913) 6.171======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 2.033 7.871 -1.026) 8.194 2.066 ( 5.032 7.233 -5.729) 10.510 2.518 ( 2.027 -0.287 -0.575) 2.126 2.648 ( -3.423 -2.667 4.286) 6.100 2.973 ( -3.521 14.664 -0.503) 15.089 4.049 ( 4.684 1.939 1.625) 5.324 5.365 ( -2.003 5.052 1.061) 5.537 5.501 ( 2.065 -0.498 -0.991) 2.344 5.707 ( 2.960 2.584 -0.586) 3.973 5.996 ( -11.292 -3.488 0.750) 11.843 6.033 ( 2.980 -2.533 -1.955) 4.373 7.492 ( 1.213 -5.016 -0.566) 5.192======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( -2.244 5.356 -0.385) 5.820 2.210 ( 6.036 4.520 -7.037) 10.314 2.511 ( -2.964 -2.694 0.378) 4.023 2.561 ( -1.142 -3.898 3.987) 5.691 3.009 ( -10.130 15.687 -1.210) 18.713 4.107 ( 1.079 -1.114 2.323) 2.793 5.366 ( -3.296 4.033 0.298) 5.217 5.533 ( 2.432 -1.396 0.025) 2.804 5.780 ( 0.495 4.558 -1.093) 4.714 5.818 ( -5.473 -0.424 -1.048) 5.589 6.073 ( 4.360 -2.334 0.946) 5.035 7.488 ( 3.581 -4.124 0.410) 5.477======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( -5.174 2.097 0.287) 5.591 2.241 ( -3.604 -1.134 -1.907) 4.232 2.429 ( -1.404 -2.932 -0.568) 3.300 2.579 ( 3.229 0.333 0.880) 3.363 2.933 ( -13.534 12.097 -1.983) 18.260 4.066 ( -5.092 -3.224 2.205) 6.417 5.337 ( -3.707 2.216 0.060) 4.319 5.540 ( 0.454 -2.064 0.564) 2.187 5.724 ( -4.781 2.438 0.279) 5.374 5.874 ( 3.108 5.529 -3.715) 7.351 6.144 ( 6.445 -2.296 1.838) 7.085 7.542 ( 6.790 -2.711 1.262) 7.419======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -9.202 -2.916 1.915) 9.842 2.116 ( -8.847 -0.810 1.385) 8.992 2.378 ( -2.317 -1.305 -2.174) 3.435 2.594 ( -6.789 1.463 0.886) 7.001 2.860 ( -1.314 6.703 -3.014) 7.466 3.868 ( -14.795 -4.938 1.274) 15.649 5.288 ( -3.932 0.697 0.328) 4.007 5.533 ( 0.780 -0.741 0.175) 1.090 5.671 ( -4.198 1.689 0.138) 4.527 5.975 ( 4.242 4.658 -3.579) 7.246 6.259 ( 8.467 -0.575 1.128) 8.562 7.671 ( 10.161 -1.302 1.570) 10.364======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -13.865 -5.163 3.149) 15.126 1.933 ( -13.169 -0.878 0.563) 13.211 2.306 ( -5.391 1.017 -1.845) 5.788 2.423 ( -12.081 0.638 0.668) 12.117 2.969 ( 7.351 2.519 -3.098) 8.365 3.493 ( -24.302 -4.150 1.692) 24.712 5.221 ( -4.501 -0.167 0.522) 4.535 5.560 ( 2.766 0.075 -0.278) 2.781 5.625 ( -2.441 0.789 -0.169) 2.571 6.076 ( 4.453 3.012 -2.895) 6.106 6.422 ( 10.421 0.626 1.310) 10.522 7.849 ( 11.448 -0.961 -0.172) 11.489======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( -17.700 -3.403 3.201) 18.306 1.644 ( -19.139 -2.870 -1.648) 19.423 2.206 ( -8.480 2.751 0.124) 8.916 2.252 ( -9.028 0.331 1.049) 9.095 2.954 ( -21.086 -1.710 -8.063) 22.640 3.162 ( -1.341 2.390 6.474) 7.030 5.146 ( -4.367 0.144 0.515) 4.399 5.607 ( 0.184 -0.340 -0.298) 0.489 5.617 ( 3.700 0.148 -0.481) 3.734 6.163 ( 4.067 1.972 -2.399) 5.117 6.622 ( 11.769 0.307 3.159) 12.190 8.011 ( 9.952 -2.101 -4.304) 11.044======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( -0.000 18.164 3.183) 18.441 1.572 ( -0.000 17.714 11.046) 20.876 1.952 ( 0.000 1.920 -9.085) 9.286 2.180 ( -0.000 12.521 7.657) 14.676 2.641 ( 0.000 20.204 -10.308) 22.681 3.187 ( -0.000 3.208 2.511) 4.073 5.107 ( -0.000 4.033 0.258) 4.041 5.604 ( 0.000 -2.081 -0.037) 2.082 5.639 ( 0.000 -3.189 -0.978) 3.335 6.028 ( 0.000 -2.229 -5.442) 5.881 6.806 ( -0.000 -14.120 5.951) 15.323 8.031 ( 0.000 -2.591 -10.121) 10.447======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -2.824 13.983 1.730) 14.369 1.767 ( 1.187 14.255 5.808) 15.439 2.038 ( 8.526 7.024 -6.194) 12.664 2.318 ( 2.857 6.458 2.714) 7.565 2.776 ( 2.807 7.521 -9.647) 12.550 3.321 ( 3.465 16.069 6.410) 17.644 5.166 ( 2.064 4.275 0.761) 4.808 5.589 ( -0.449 -2.123 -0.664) 2.269 5.596 ( -0.505 -1.742 -0.688) 1.939 6.003 ( 1.858 -3.932 -3.565) 5.623 6.669 ( -1.916 -14.141 4.985) 15.116 7.922 ( -5.521 -3.773 -8.616) 10.906======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( -0.446 10.605 -0.592) 10.631 1.915 ( 1.415 9.883 0.598) 10.002 2.277 ( 8.566 8.195 -0.106) 11.855 2.449 ( 6.197 8.508 -0.441) 10.535 2.825 ( 2.661 -0.818 -4.260) 5.089 3.602 ( 6.374 17.975 4.309) 19.553 5.260 ( 3.255 4.636 1.759) 5.931 5.533 ( -1.858 -2.348 -1.255) 3.247 5.604 ( 0.796 1.282 -1.149) 1.897 5.982 ( 1.747 -4.651 -2.743) 5.675 6.505 ( -3.662 -13.004 3.850) 14.048 7.739 ( -7.962 -4.460 -6.563) 11.241======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 3.145 9.827 -1.355) 10.406 2.013 ( 0.882 7.099 -1.277) 7.266 2.415 ( 3.656 2.104 0.896) 4.312 2.671 ( 3.826 7.505 2.001) 8.659 2.881 ( 6.803 5.318 -1.885) 8.838 3.858 ( 5.397 11.111 1.663) 12.464 5.360 ( 2.296 4.250 2.682) 5.525 5.487 ( -1.037 -0.798 -1.455) 1.956 5.635 ( 1.213 2.463 -2.186) 3.509 5.962 ( 1.796 -3.387 -2.372) 4.508 6.319 ( -6.181 -10.368 2.240) 12.276 7.556 ( -5.907 -4.825 -3.712) 8.483======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 4.575 9.315 -1.907) 10.552 2.080 ( 0.399 5.627 -1.440) 5.822 2.479 ( 2.441 0.417 0.441) 2.515 2.674 ( -2.594 -4.384 3.049) 5.936 3.133 ( 5.163 18.171 -0.400) 18.894 4.000 ( 3.367 2.998 0.597) 4.547 5.424 ( 0.421 2.719 1.818) 3.298 5.481 ( 0.329 1.182 -0.476) 1.316 5.672 ( 2.106 1.015 -2.530) 3.445 5.965 ( 1.826 -1.465 -2.469) 3.402 6.126 ( -7.637 -5.173 1.716) 9.383 7.438 ( -1.564 -4.962 -1.287) 5.360======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( -1.199 8.018 -0.089) 8.108 2.147 ( 4.401 4.461 -4.145) 7.514 2.509 ( 1.107 -0.220 -0.306) 1.169 2.567 ( -4.119 -7.166 3.866) 9.125 3.319 ( -5.560 19.338 -0.660) 20.132 4.054 ( 3.309 -2.670 1.244) 4.430 5.444 ( -1.495 2.271 0.314) 2.737 5.499 ( 0.497 0.463 0.220) 0.713 5.722 ( 5.355 -1.375 -2.124) 5.923 5.930 ( -4.808 0.347 -0.700) 4.872 6.034 ( -0.998 0.484 0.886) 1.420 7.395 ( 1.984 -4.573 -0.157) 4.987======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( -5.533 4.896 0.363) 7.397 2.236 ( 2.290 2.358 -5.226) 6.174 2.440 ( -3.398 -5.227 3.082) 6.954 2.533 ( 2.181 -0.710 0.854) 2.448 3.302 ( -14.908 13.784 -0.988) 20.328 4.073 ( 1.379 -3.581 1.591) 4.154 5.414 ( -3.638 1.072 0.056) 3.793 5.509 ( 1.095 -1.104 0.199) 1.568 5.793 ( 3.168 -1.075 -1.729) 3.765 5.888 ( -2.384 6.372 -0.259) 6.808 6.044 ( 2.406 -1.565 0.842) 2.992 7.413 ( 4.928 -3.416 0.253) 6.002======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( -9.324 0.276 0.365) 9.336 2.215 ( -3.964 -0.311 -2.682) 4.796 2.388 ( -0.789 -0.881 1.381) 1.818 2.592 ( 4.250 0.282 0.912) 4.356 3.115 ( -17.222 6.319 -0.788) 18.361 4.013 ( -6.084 -2.616 0.848) 6.676 5.359 ( -3.725 0.264 0.613) 3.784 5.514 ( 0.645 -0.821 -0.078) 1.047 5.767 ( -4.485 1.077 -0.725) 4.669 5.952 ( 2.341 4.520 -2.389) 5.623 6.113 ( 7.664 -1.970 1.583) 8.070 7.499 ( 8.280 -1.863 0.064) 8.487======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( -11.796 -1.302 0.368) 11.874 2.096 ( -8.338 -1.281 -2.589) 8.825 2.376 ( -2.062 1.518 1.297) 2.870 2.615 ( -5.826 -0.203 1.118) 5.936 2.931 ( -4.604 1.285 -0.951) 4.874 3.816 ( -15.665 -0.441 0.780) 15.691 5.297 ( -4.214 -0.010 1.121) 4.361 5.522 ( 1.343 -0.208 -0.653) 1.508 5.687 ( -4.564 -0.256 -0.958) 4.670 6.026 ( 3.479 2.063 -1.380) 4.274 6.256 ( 9.945 -0.626 1.384) 10.060 7.645 ( 10.642 -1.150 -1.612) 10.825======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -14.576 0.701 -0.589) 14.605 1.885 ( -13.863 -2.610 -3.898) 14.636 2.349 ( -4.428 2.922 1.987) 5.665 2.423 ( -12.327 -1.230 0.739) 12.410 2.966 ( 4.658 -0.420 -3.075) 5.597 3.514 ( -21.964 4.241 3.538) 22.647 5.226 ( -4.517 0.108 1.023) 4.633 5.553 ( 2.844 -0.286 -0.914) 3.001 5.620 ( -2.273 -0.865 -0.633) 2.513 6.099 ( 4.311 0.397 -0.720) 4.388 6.435 ( 11.316 -0.919 2.762) 11.684 7.800 ( 10.383 -1.993 -5.063) 11.722======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 0.000 11.830 -3.237) 12.265 1.835 ( -0.000 2.369 0.398) 2.402 2.054 ( -0.000 15.030 -0.859) 15.055 2.353 ( -0.000 4.380 0.276) 4.389 2.773 ( 0.000 1.836 -4.975) 5.303 3.503 ( -0.000 21.745 5.753) 22.493 5.185 ( -0.000 3.318 0.445) 3.347 5.574 ( 0.000 -2.618 -0.734) 2.719 5.585 ( 0.000 0.432 -0.212) 0.481 5.941 ( 0.000 -4.043 -1.755) 4.408 6.560 ( -0.000 -13.696 2.824) 13.984 7.904 ( 0.000 -4.765 -7.046) 8.506======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -1.823 5.385 -4.542) 7.277 1.929 ( 4.624 3.910 -3.263) 6.879 2.262 ( 5.813 13.684 1.855) 14.983 2.415 ( 4.133 4.533 -1.585) 6.336 2.779 ( 0.714 -0.970 0.397) 1.268 3.740 ( 1.592 19.951 3.610) 20.338 5.243 ( 3.318 2.796 0.825) 4.417 5.538 ( -1.350 -1.511 -0.963) 2.243 5.602 ( 0.666 2.000 -0.458) 2.157 5.908 ( 1.074 -4.354 -0.409) 4.503 6.429 ( -1.398 -12.071 1.193) 12.210 7.790 ( -5.197 -5.121 -5.444) 9.103======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 2.787 5.910 -3.423) 7.376 2.021 ( 3.868 2.774 -2.814) 5.530 2.404 ( 1.639 3.973 1.425) 4.528 2.652 ( 10.108 10.277 0.400) 14.420 2.789 ( 4.360 -0.495 1.497) 4.636 3.937 ( 0.884 13.785 1.339) 13.878 5.344 ( 4.513 2.600 1.736) 5.490 5.501 ( -1.540 -0.043 -1.423) 2.097 5.638 ( 0.809 2.994 -1.372) 3.391 5.891 ( 1.895 -3.822 0.161) 4.269 6.290 ( -2.713 -9.971 0.214) 10.336 7.617 ( -7.382 -4.571 -3.554) 9.382======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( 5.201 6.337 -2.363) 8.532 2.101 ( 3.031 3.266 -1.020) 4.571 2.457 ( 1.399 1.607 0.956) 2.335 2.685 ( -2.765 -3.563 2.646) 5.229 3.101 ( 16.393 12.955 0.274) 20.896 4.031 ( -1.559 6.297 -0.124) 6.488 5.427 ( 1.931 1.237 1.633) 2.815 5.490 ( 0.198 1.353 -0.470) 1.446 5.663 ( -0.494 1.828 -2.585) 3.204 5.911 ( 3.383 -0.884 -0.372) 3.516 6.154 ( -3.293 -7.189 0.422) 7.919 7.455 ( -5.784 -3.617 -1.691) 7.029======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( 5.032 4.597 -2.438) 7.239 2.180 ( 1.576 5.289 0.380) 5.532 2.489 ( 0.992 0.139 0.734) 1.242 2.582 ( -4.636 -5.880 1.857) 7.714 3.475 ( 10.255 15.484 0.452) 18.577 4.009 ( -3.038 -2.021 -0.287) 3.660 5.458 ( 0.564 1.423 -0.327) 1.566 5.520 ( 1.012 1.286 1.888) 2.499 5.634 ( -0.650 -2.598 -2.737) 3.829 5.962 ( 1.122 2.149 -1.402) 2.801 6.066 ( -1.385 -2.528 1.412) 3.210 7.354 ( -2.034 -2.920 -0.504) 3.595======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.188 ( 2.514 1.810 -1.090) 3.284 2.249 ( -1.257 7.522 -1.479) 7.769 2.439 ( -3.630 -7.962 2.704) 9.159 2.507 ( 0.544 0.052 -0.089) 0.553 3.656 ( -10.012 14.218 -0.270) 17.391 3.955 ( 5.996 -7.671 0.528) 9.750 5.472 ( -0.492 0.796 0.146) 0.947 5.510 ( -3.508 0.457 0.144) 3.541 5.656 ( 7.725 -2.371 -1.250) 8.176 5.974 ( -1.103 2.134 0.378) 2.431 6.045 ( -1.670 0.305 -0.052) 1.699 7.328 ( 1.804 -1.913 -0.080) 2.630======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -7.568 -0.533 0.252) 7.591 2.250 ( -2.315 2.643 -4.233) 5.501 2.386 ( 1.580 -1.634 3.952) 4.559 2.530 ( 2.661 -0.214 0.306) 2.687 3.457 ( -18.255 0.599 0.246) 18.266 4.021 ( 3.035 -0.866 -0.170) 3.161 5.427 ( -4.066 0.198 0.906) 4.171 5.496 ( 0.743 -0.159 -0.268) 0.805 5.768 ( 4.900 0.375 -2.451) 5.492 5.982 ( -0.072 0.885 1.707) 1.924 6.013 ( 0.020 -0.881 -0.485) 1.006 7.375 ( 5.027 -0.180 -0.295) 5.039======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -9.925 -0.939 -0.337) 9.976 2.188 ( -5.453 0.200 -4.448) 7.040 2.421 ( -0.069 2.162 3.554) 4.160 2.596 ( 4.713 -0.690 1.400) 4.965 3.129 ( -16.997 -4.931 0.600) 17.708 3.999 ( -5.727 1.231 -0.526) 5.882 5.367 ( -3.797 -0.274 1.395) 4.054 5.507 ( 0.522 0.392 -0.811) 1.041 5.750 ( -4.047 -1.340 -2.238) 4.815 5.999 ( 1.144 -0.275 1.601) 1.987 6.088 ( 8.930 -0.696 -0.489) 8.970 7.484 ( 7.495 0.924 -1.431) 7.686======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( -11.138 1.690 -1.896) 11.424 2.043 ( -9.622 -1.108 -5.240) 11.012 2.437 ( -2.207 2.794 2.958) 4.628 2.596 ( -7.285 -2.421 1.035) 7.746 2.900 ( -1.434 -3.754 1.094) 4.165 3.862 ( -13.202 4.064 0.673) 13.830 5.297 ( -4.066 -1.129 1.216) 4.391 5.519 ( 0.919 0.575 -1.215) 1.628 5.661 ( -3.760 -1.068 -0.848) 4.000 6.028 ( 3.266 -2.048 1.488) 4.132 6.244 ( 10.421 -1.178 -0.216) 10.489 7.618 ( 8.251 0.299 -3.683) 9.041======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 0.000 0.248 -3.291) 3.300 1.870 ( 0.000 2.809 -10.003) 10.390 2.350 ( -0.000 12.966 2.110) 13.137 2.410 ( 0.000 2.824 -0.618) 2.890 2.777 ( -0.000 -0.747 4.167) 4.234 3.923 ( -0.000 17.295 2.259) 17.441 5.229 ( -0.000 1.044 0.301) 1.086 5.539 ( 0.000 -0.391 -0.907) 0.987 5.621 ( -0.000 3.200 -0.146) 3.204 5.860 ( -0.000 -4.394 1.928) 4.798 6.338 ( 0.000 -9.111 -1.147) 9.183 7.767 ( 0.000 -5.453 -4.172) 6.866======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 1.655 2.436 -4.158) 5.096 1.925 ( 6.243 -0.330 -5.997) 8.663 2.431 ( 0.101 3.271 0.807) 3.370 2.558 ( 9.962 9.509 0.431) 13.778 2.773 ( -0.965 -1.585 4.638) 4.996 4.069 ( -0.478 12.142 0.665) 12.170 5.280 ( 4.746 0.761 0.419) 4.825 5.526 ( -1.320 0.920 -1.272) 2.051 5.657 ( 0.369 3.398 -0.193) 3.423 5.831 ( 0.917 -4.786 2.976) 5.710 6.245 ( -1.839 -5.868 -2.254) 6.550 7.666 ( -4.480 -4.618 -2.795) 7.015======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( 5.440 3.860 -1.817) 6.914 2.023 ( 7.063 0.046 -2.425) 7.467 2.462 ( 0.483 1.600 0.707) 1.815 2.718 ( -2.737 -1.576 2.209) 3.854 2.895 ( 17.593 6.663 1.094) 18.844 4.137 ( -2.495 6.688 -0.458) 7.153 5.381 ( 5.231 0.566 0.796) 5.321 5.510 ( -1.379 1.690 -1.312) 2.545 5.691 ( -0.191 2.856 -0.712) 2.949 5.829 ( 3.559 -3.862 2.473) 5.805 6.147 ( -3.440 -3.821 -1.867) 5.470 7.528 ( -6.461 -2.776 -1.447) 7.179======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( 5.663 2.971 -0.291) 6.402 2.140 ( 6.440 1.386 -0.542) 6.610 2.483 ( 0.536 0.427 0.545) 0.876 2.629 ( -5.281 -2.956 0.784) 6.102 3.287 ( 20.885 4.993 0.569) 21.481 4.106 ( -6.122 2.046 -0.741) 6.497 5.451 ( 2.705 0.668 0.198) 2.793 5.502 ( -0.495 -0.043 -0.047) 0.499 5.679 ( -3.658 1.173 -0.428) 3.866 5.909 ( 6.974 0.061 0.246) 6.978 6.059 ( -2.520 -2.396 -0.287) 3.489 7.402 ( -5.694 -1.066 -0.459) 5.811======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 4.190 1.493 0.878) 4.534 2.248 ( 5.264 0.225 -0.315) 5.278 2.475 ( -3.724 -1.975 -0.123) 4.217 2.515 ( -3.089 -0.141 -0.446) 3.125 3.650 ( 18.207 -0.645 0.081) 18.219 3.967 ( -11.173 0.550 -0.198) 11.188 5.480 ( -0.561 0.693 0.000) 0.891 5.522 ( 4.853 -2.331 -0.962) 5.469 5.609 ( -5.174 2.493 1.497) 5.935 6.000 ( -0.230 1.976 -1.124) 2.285 6.031 ( 2.890 -2.151 0.854) 3.702 7.326 ( -2.547 0.266 0.042) 2.561======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( -0.179 -1.603 -0.018) 1.613 2.301 ( 3.405 -6.458 3.462) 8.080 2.377 ( -4.765 6.379 -3.546) 8.716 2.509 ( 0.265 0.243 0.074) 0.367 3.660 ( -9.003 -14.128 0.147) 16.754 3.947 ( 4.899 7.196 -0.261) 8.710 5.479 ( -0.388 -0.490 0.810) 1.023 5.500 ( -2.204 -1.298 -0.890) 2.708 5.673 ( 5.789 4.493 0.460) 7.343 5.972 ( -1.911 -2.367 0.034) 3.042 6.043 ( -0.702 -0.623 -0.121) 0.946 7.329 ( 1.508 2.068 0.032) 2.559======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( -5.269 -4.711 -0.191) 7.071 2.281 ( -4.191 2.489 -2.635) 5.541 2.421 ( 3.341 1.792 3.355) 5.063 2.527 ( 1.965 0.005 -0.089) 1.967 3.319 ( -14.450 -13.409 0.695) 19.725 4.048 ( 1.003 2.810 -0.852) 3.103 5.424 ( -3.315 -1.712 0.882) 3.834 5.502 ( 0.725 1.060 -0.469) 1.367 5.786 ( -0.416 2.674 -1.867) 3.288 5.915 ( 3.156 -6.056 1.895) 7.087 6.028 ( 0.056 0.910 -0.670) 1.132 7.405 ( 4.142 3.356 -0.502) 5.354======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( -6.383 -1.770 -0.882) 6.682 2.184 ( -8.743 3.040 -6.003) 11.033 2.493 ( 0.272 2.452 3.906) 4.620 2.582 ( 4.675 -1.695 1.598) 5.223 2.966 ( -12.009 -11.203 1.245) 16.470 4.038 ( -4.573 2.538 -0.508) 5.255 5.346 ( -3.633 -3.006 0.853) 4.792 5.522 ( 0.065 1.995 -1.160) 2.309 5.717 ( -4.391 -0.656 -0.453) 4.463 5.943 ( 3.926 -6.564 3.403) 8.371 6.096 ( 5.945 2.605 -3.173) 7.225 7.514 ( 5.156 2.829 -1.523) 6.075======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 0.000 0.558 -1.525) 1.624 1.829 ( 0.000 0.367 -6.193) 6.203 2.457 ( -0.000 1.647 0.605) 1.754 2.553 ( -0.000 6.775 0.880) 6.831 2.783 ( -0.000 -1.600 3.817) 4.139 4.173 ( -0.000 8.095 -0.299) 8.101 5.238 ( -0.000 -0.006 0.076) 0.077 5.549 ( 0.000 2.091 -1.237) 2.429 5.685 ( -0.000 2.811 -0.038) 2.811 5.783 ( -0.000 -5.831 3.813) 6.967 6.221 ( 0.000 -1.537 -2.833) 3.223 7.655 ( 0.000 -3.729 -1.835) 4.156======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 3.794 2.811 -0.152) 4.725 1.889 ( 6.609 -0.086 -1.231) 6.723 2.471 ( 0.112 0.688 0.699) 0.987 2.688 ( 9.493 3.349 -0.431) 10.076 2.762 ( -0.923 -2.073 2.306) 3.236 4.219 ( -1.269 3.829 -1.005) 4.157 5.287 ( 5.382 0.023 0.025) 5.383 5.554 ( -1.616 2.489 -1.006) 3.133 5.709 ( 0.440 1.481 0.202) 1.558 5.750 ( 1.545 -4.944 2.510) 5.756 6.184 ( -3.035 0.274 -1.919) 3.601 7.591 ( -3.795 -1.602 -0.877) 4.212======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 5.899 0.857 1.306) 6.102 2.027 ( 7.579 1.809 1.132) 7.874 2.479 ( 0.288 -0.235 0.564) 0.676 2.686 ( -3.843 -1.745 -1.225) 4.395 2.964 ( 18.933 -0.383 0.540) 18.945 4.197 ( -3.321 0.194 -1.141) 3.516 5.383 ( 5.210 -0.461 -0.294) 5.239 5.536 ( -2.273 0.910 -0.064) 2.449 5.729 ( -0.640 0.950 0.760) 1.374 5.775 ( 6.236 -1.978 0.576) 6.568 6.117 ( -4.698 1.086 -0.648) 4.865 7.500 ( -6.012 0.578 -0.124) 6.041======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 6.158 -1.199 2.714) 6.836 2.147 ( 4.969 -0.308 0.411) 4.995 2.477 ( 0.101 -1.418 -0.192) 1.434 2.596 ( -4.766 0.694 -2.544) 5.447 3.283 ( 20.613 -5.526 0.153) 21.342 4.108 ( -5.752 -1.535 -0.561) 5.979 5.437 ( 3.081 -1.647 -1.141) 3.675 5.505 ( -1.658 0.197 0.327) 1.701 5.709 ( -2.905 1.054 2.702) 4.104 5.903 ( 8.409 -0.300 -0.521) 8.431 6.060 ( -3.818 2.387 -0.214) 4.507 7.411 ( -5.843 2.024 0.392) 6.196======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( 6.426 -5.764 2.991) 9.136 2.174 ( 0.556 -2.832 0.763) 2.985 2.458 ( -0.392 0.609 -2.862) 2.952 2.546 ( -3.378 3.623 -1.532) 5.185 3.465 ( 10.387 -15.235 -0.558) 18.448 4.015 ( -3.282 1.727 0.370) 3.727 5.453 ( 1.923 -2.859 -1.266) 3.671 5.492 ( -0.259 0.132 -0.345) 0.451 5.701 ( -0.978 3.358 4.013) 5.323 5.990 ( 1.761 -1.658 1.364) 2.777 6.029 ( -2.067 2.199 -2.382) 3.844 7.365 ( -2.520 3.579 0.648) 4.425======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( -1.529 -7.050 -0.056) 7.214 2.242 ( 6.093 -3.680 5.025) 8.713 2.464 ( -1.411 4.767 -4.969) 7.028 2.527 ( -1.665 2.008 -0.058) 2.609 3.323 ( -4.657 -19.094 -0.264) 19.656 4.043 ( 2.160 2.192 0.129) 3.080 5.432 ( -0.586 -3.507 -0.891) 3.665 5.498 ( 0.746 0.808 0.290) 1.137 5.766 ( 3.868 0.869 2.373) 4.620 5.929 ( -7.110 0.756 -1.045) 7.226 6.024 ( 0.780 -0.528 0.097) 0.947 7.401 ( 1.205 4.915 0.463) 5.082======================= 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 4.65e-08 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.005 ( -2.598 -4.499 -0.000) 5.195 2.302 ( 0.081 0.140 -0.000) 0.161 2.469 ( 1.206 2.089 0.000) 2.412 2.538 ( 0.689 1.194 -0.000) 1.379 3.021 ( -9.322 -16.147 -0.000) 18.645 4.083 ( 0.499 0.864 -0.000) 0.997 5.363 ( -2.616 -4.532 -0.000) 5.233 5.533 ( 1.313 2.274 -0.000) 2.626 5.791 ( -2.477 -4.291 0.000) 4.955 5.828 ( -0.725 -1.256 -0.000) 1.451 6.064 ( 2.152 3.727 -0.000) 4.304 7.483 ( 2.577 4.463 0.000) 5.154======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( -0.000 0.833 0.849) 1.189 1.860 ( -0.000 3.882 4.131) 5.669 2.475 ( -0.000 -0.216 0.749) 0.780 2.615 ( 0.000 -0.464 -0.511) 0.691 2.756 ( 0.000 -2.276 -0.591) 2.351 4.244 ( 0.000 0.079 -1.522) 1.524 5.237 ( 0.000 -0.034 -0.028) 0.043 5.593 ( -0.000 1.879 0.121) 1.883 5.698 ( -0.000 -3.009 0.721) 3.094 5.714 ( 0.000 0.006 -0.037) 0.038 6.217 ( 0.000 1.436 -0.782) 1.635 7.616 ( 0.000 0.700 -0.256) 0.746======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 3.855 -0.016 1.708) 4.217 1.967 ( 4.613 4.437 6.987) 9.476 2.471 ( 0.024 -1.152 0.654) 1.325 2.681 ( 9.262 -2.917 -1.684) 9.856 2.717 ( -0.083 -2.706 -1.775) 3.237 4.211 ( -1.125 -3.805 -1.765) 4.343 5.284 ( 5.082 -0.286 -0.292) 5.099 5.576 ( -1.951 -1.284 1.160) 2.608 5.698 ( 1.271 -0.404 -0.844) 1.578 5.729 ( 1.703 1.233 0.317) 2.126 6.204 ( -3.183 2.051 0.220) 3.793 7.603 ( -3.836 3.033 0.256) 4.897======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 5.164 -2.524 2.110) 6.123 2.091 ( 3.765 1.197 5.012) 6.382 2.454 ( 0.061 -2.744 -0.399) 2.773 2.655 ( -2.559 1.008 -3.901) 4.773 2.891 ( 18.314 -6.968 0.634) 19.605 4.127 ( -1.904 -6.880 -1.460) 7.286 5.360 ( 4.301 -1.448 -1.257) 4.709 5.534 ( -1.813 -1.133 0.980) 2.352 5.714 ( 2.169 -2.714 1.307) 3.712 5.804 ( 3.990 4.270 0.178) 5.847 6.167 ( -4.446 4.123 0.268) 6.069 7.550 ( -6.611 4.313 0.739) 7.928======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( 4.923 -7.177 1.166) 8.781 2.140 ( 1.611 -2.541 3.552) 4.655 2.431 ( 1.137 -1.957 -2.024) 3.036 2.629 ( -2.353 3.759 -2.865) 5.280 3.103 ( 15.669 -12.093 0.427) 19.798 4.027 ( -0.706 -6.882 -0.550) 6.940 5.387 ( 2.273 -2.467 -2.148) 3.984 5.505 ( -1.074 -0.422 0.816) 1.413 5.724 ( 1.039 -2.315 3.386) 4.231 5.922 ( 4.705 2.829 0.892) 5.562 6.139 ( -4.979 6.104 -1.127) 7.957 7.486 ( -6.287 5.171 1.341) 8.250======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 4.042 -9.493 0.412) 10.326 2.143 ( 2.389 -4.722 4.720) 7.091 2.451 ( 2.621 0.516 -2.704) 3.801 2.615 ( -3.213 4.090 -2.615) 5.822 3.133 ( 4.743 -17.210 -0.318) 17.854 3.996 ( 3.442 -4.107 0.164) 5.361 5.383 ( 1.402 -3.424 -2.076) 4.242 5.498 ( 0.081 0.311 1.035) 1.084 5.725 ( 1.098 -3.167 2.845) 4.396 6.002 ( 1.805 1.289 0.769) 2.347 6.092 ( -7.431 6.565 -1.294) 10.000 7.468 ( -2.716 6.172 1.728) 6.961======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -0.000 0.668 2.252) 2.349 1.999 ( -0.000 3.566 10.901) 11.470 2.463 ( -0.000 -1.469 1.221) 1.910 2.531 ( 0.000 -7.533 -1.336) 7.650 2.701 ( 0.000 -0.784 -4.652) 4.718 4.153 ( 0.000 -8.668 -2.366) 8.985 5.235 ( 0.000 -0.130 -0.135) 0.188 5.573 ( -0.000 -2.755 1.078) 2.958 5.685 ( 0.000 -2.733 -0.010) 2.733 5.738 ( 0.000 5.735 -0.784) 5.788 6.255 ( -0.000 2.757 0.822) 2.876 7.679 ( -0.000 5.463 0.536) 5.489======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 1.647 -1.313 2.074) 2.955 2.065 ( 2.065 -1.396 7.677) 8.072 2.419 ( -0.442 -5.149 -0.747) 5.221 2.564 ( 10.698 -8.101 1.088) 13.463 2.690 ( -0.018 3.571 -3.295) 4.859 4.037 ( 0.036 -13.229 -2.551) 13.473 5.269 ( 3.909 -1.090 -0.625) 4.106 5.547 ( -0.879 -1.325 0.803) 1.781 5.659 ( 0.789 -2.932 -0.091) 3.037 5.813 ( 1.772 5.933 1.049) 6.280 6.271 ( -2.422 5.022 0.566) 5.604 7.704 ( -4.495 6.706 0.863) 8.119======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 1.543 -7.067 0.314) 7.241 2.084 ( 2.263 -5.427 3.629) 6.909 2.375 ( 1.583 -4.094 -1.326) 4.585 2.625 ( 5.420 -6.662 -2.091) 8.839 2.801 ( 8.222 1.624 2.581) 8.769 3.902 ( 2.045 -15.303 -2.091) 15.580 5.309 ( 3.167 -2.894 -1.729) 4.625 5.525 ( -1.272 0.031 0.983) 1.608 5.663 ( 2.625 -3.001 1.014) 4.114 5.913 ( 2.571 5.742 2.508) 6.773 6.279 ( -3.907 7.608 -0.880) 8.598 7.670 ( -7.473 7.071 1.649) 10.419======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 3.693 -10.918 -0.359) 11.531 2.065 ( 2.082 -7.769 3.606) 8.814 2.390 ( 3.393 -1.208 -1.621) 3.950 2.630 ( 2.820 -5.605 -1.968) 6.576 2.918 ( 4.865 -3.678 1.688) 6.328 3.827 ( 6.719 -13.181 -1.388) 14.859 5.312 ( 2.136 -3.770 -2.046) 4.792 5.514 ( -0.974 0.926 1.178) 1.787 5.675 ( 1.705 -3.718 1.733) 4.442 6.008 ( 1.335 4.319 2.231) 5.041 6.274 ( -5.874 8.647 -2.218) 10.686 7.623 ( -6.720 7.451 2.921) 10.450======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( -0.000 -1.280 0.618) 1.421 2.024 ( -0.000 -7.955 4.960) 9.375 2.326 ( 0.000 -12.219 -0.098) 12.219 2.432 ( -0.000 -3.348 1.128) 3.533 2.733 ( -0.000 6.812 0.529) 6.832 3.867 ( 0.000 -19.171 -3.350) 19.461 5.223 ( 0.000 -1.214 -0.254) 1.241 5.549 ( -0.000 0.180 0.164) 0.244 5.624 ( 0.000 -3.075 0.076) 3.076 5.863 ( -0.000 6.465 2.049) 6.782 6.350 ( -0.000 6.938 0.215) 6.941 7.818 ( -0.000 8.015 0.867) 8.062======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( -2.292 -8.346 -2.238) 8.939 1.969 ( 3.461 -10.268 0.584) 10.851 2.261 ( 4.707 -9.463 1.753) 10.714 2.423 ( 4.253 -6.920 -0.525) 8.139 2.827 ( 0.842 8.545 4.974) 9.923 3.667 ( 2.403 -22.631 -3.624) 23.045 5.228 ( 2.309 -2.840 -0.681) 3.723 5.552 ( -0.769 1.573 0.466) 1.812 5.608 ( 1.211 -1.859 0.140) 2.223 5.948 ( 1.521 6.209 3.524) 7.300 6.408 ( -2.176 9.058 -0.989) 9.368 7.858 ( -4.930 8.236 1.352) 9.694======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 0.577 -13.978 -3.414) 14.401 1.929 ( 4.043 -11.969 1.124) 12.683 2.292 ( 5.639 -4.555 1.263) 7.358 2.432 ( 6.434 -9.827 -1.293) 11.817 2.928 ( 0.012 6.107 5.374) 8.135 3.520 ( 8.011 -21.608 -3.750) 23.349 5.229 ( 2.370 -4.134 -1.232) 4.922 5.555 ( -1.481 2.362 0.833) 2.909 5.621 ( 1.626 -1.676 0.603) 2.412 6.045 ( 1.389 5.586 3.543) 6.759 6.441 ( -4.382 9.992 -2.625) 11.222 7.834 ( -7.596 8.141 2.937) 11.515======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 0.000 -11.558 -6.685) 13.352 1.781 ( 0.000 -16.467 -2.943) 16.728 2.135 ( -0.000 -7.205 5.694) 9.183 2.325 ( 0.000 -7.882 -1.143) 7.964 2.925 ( -0.000 7.554 8.905) 11.677 3.390 ( 0.000 -26.031 -5.283) 26.561 5.179 ( 0.000 -3.238 -0.105) 3.240 5.583 ( -0.000 3.054 0.256) 3.065 5.587 ( 0.000 -0.510 -0.012) 0.510 6.006 ( -0.000 5.902 4.683) 7.534 6.518 ( 0.000 10.547 -1.530) 10.658 7.986 ( -0.000 8.376 1.074) 8.445======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( -2.969 -18.208 -7.427) 19.887 1.700 ( 6.531 -16.608 -3.122) 18.117 2.150 ( 5.060 -4.642 5.151) 8.584 2.261 ( 3.609 -9.745 -1.572) 10.510 2.992 ( 0.695 -4.912 11.794) 12.795 3.179 ( 3.869 -15.762 -8.393) 18.271 5.155 ( 1.294 -4.018 -0.256) 4.229 5.595 ( 0.618 0.855 -0.006) 1.055 5.609 ( -0.872 3.152 0.510) 3.310 6.089 ( 1.243 5.482 5.008) 7.528 6.596 ( -2.706 11.161 -2.513) 11.756 8.027 ( -4.708 7.955 1.908) 9.438======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 0.000 -19.892 -9.180) 21.908 1.386 ( 0.000 -20.584 -6.913) 21.714 2.093 ( 0.000 -17.029 -0.173) 17.030 2.095 ( -0.000 -2.298 5.912) 6.343 2.774 ( -0.000 -28.068 2.047) 28.142 3.165 ( -0.000 7.015 1.111) 7.103 5.107 ( -0.000 -3.892 0.263) 3.900 5.602 ( 0.000 1.972 -0.235) 1.985 5.653 ( -0.000 3.444 0.449) 3.473 6.146 ( -0.000 5.057 6.302) 8.081 6.723 ( 0.000 11.633 -2.456) 11.890 8.145 ( -0.000 7.217 1.155) 7.308======================= 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 4.65e-08 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( -0.000 0.000 22.618) 22.618 0.439 ( -0.000 0.000 22.618) 22.618 0.735 ( -0.000 0.000 38.309) 38.309 2.028 ( 0.000 -0.000 -4.477) 4.477 2.028 ( 0.000 -0.000 -4.477) 4.477 3.746 ( 0.000 -0.000 -11.519) 11.519 4.991 ( -0.000 0.000 0.267) 0.267 4.991 ( -0.000 0.000 0.267) 0.267 5.711 ( 0.000 -0.000 -0.021) 0.021 5.711 ( 0.000 -0.000 -0.021) 0.021 7.183 ( -0.000 0.000 3.283) 3.283 7.954 ( 0.000 -0.000 -1.089) 1.089======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( 9.612 5.550 15.078) 18.723 0.660 ( 7.633 4.407 21.361) 23.108 1.244 ( 28.586 16.504 23.513) 40.527 2.044 ( 3.856 2.226 -6.660) 8.011 2.052 ( 2.106 1.216 -3.830) 4.536 3.377 ( -9.121 -5.266 -2.270) 10.774 5.012 ( 1.459 0.842 0.451) 1.744 5.689 ( -1.698 -0.981 -0.116) 1.965 5.708 ( 1.449 0.837 -1.298) 2.117 5.859 ( 27.625 15.949 -27.502) 42.117 7.175 ( -3.101 -1.791 5.348) 6.436 8.020 ( 2.975 1.718 -13.007) 13.453======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 14.876 8.589 7.206) 18.628 0.922 ( 10.615 6.129 11.678) 16.930 1.948 ( 24.977 14.420 16.168) 33.063 2.099 ( 3.104 1.792 -3.009) 4.679 2.167 ( 11.647 6.724 -9.927) 16.716 3.256 ( -2.020 -1.166 -4.332) 4.921 5.059 ( 2.605 1.504 0.499) 3.049 5.641 ( -2.427 -1.401 -0.160) 2.807 5.699 ( -1.554 -0.897 -0.655) 1.911 6.135 ( 6.849 3.955 -11.837) 14.236 7.071 ( -8.023 -4.632 9.256) 13.096 7.966 ( -3.013 -1.740 -16.191) 16.561======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 11.662 6.733 2.363) 13.672 1.231 ( 14.823 8.558 2.819) 17.347 2.173 ( 4.333 2.502 -1.869) 5.341 2.245 ( 7.241 4.180 0.376) 8.369 2.637 ( 21.722 12.541 -1.878) 25.153 3.267 ( 4.830 2.789 1.067) 5.679 5.127 ( 3.231 1.865 0.494) 3.763 5.591 ( -1.699 -0.981 -0.204) 1.973 5.639 ( -3.306 -1.909 -1.109) 3.976 6.176 ( -0.114 -0.066 -5.019) 5.021 6.883 ( -11.627 -6.713 9.927) 16.697 7.821 ( -4.742 -2.738 -14.398) 15.404======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 12.284 7.092 -4.014) 14.741 1.534 ( 11.554 6.671 -0.087) 13.342 2.283 ( 5.806 3.352 -0.395) 6.716 2.391 ( 5.831 3.366 -0.506) 6.752 2.905 ( 4.294 2.479 -3.639) 6.150 3.530 ( 15.633 9.026 5.303) 18.814 5.194 ( 2.344 1.354 0.462) 2.746 5.564 ( -2.688 -1.552 -0.957) 3.249 5.577 ( 0.704 0.406 -0.229) 0.844 6.123 ( -2.877 -1.661 -2.504) 4.160 6.611 ( -14.708 -8.492 5.001) 17.704 7.694 ( -3.179 -1.835 -8.340) 9.112======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 12.672 7.316 -7.521) 16.452 1.738 ( 7.095 4.096 -1.799) 8.388 2.421 ( 6.113 3.529 0.833) 7.108 2.496 ( 3.657 2.111 -0.929) 4.324 2.908 ( -2.586 -1.493 0.712) 3.070 3.863 ( 11.618 6.708 3.246) 13.803 5.228 ( 0.688 0.397 0.310) 0.853 5.527 ( -0.199 -0.115 -0.802) 0.835 5.620 ( 2.864 1.654 -0.125) 3.310 6.057 ( -2.835 -1.637 1.662) 3.671 6.288 ( -13.381 -7.726 -2.397) 15.636 7.624 ( -1.763 -1.018 -2.716) 3.394======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( 3.718 2.147 -2.190) 4.820 1.972 ( 12.429 7.176 -9.455) 17.187 2.538 ( 3.628 2.095 1.278) 4.380 2.544 ( 0.968 0.559 -1.740) 2.068 2.813 ( -6.228 -3.596 3.593) 8.039 4.056 ( 5.175 2.988 2.662) 6.542 5.235 ( 0.028 0.016 0.134) 0.138 5.549 ( 2.408 1.390 -1.162) 3.013 5.683 ( 2.357 1.361 0.011) 2.721 5.922 ( -10.618 -6.130 3.587) 12.775 6.126 ( 0.749 0.432 -3.965) 4.058 7.591 ( -0.872 -0.503 -0.196) 1.026======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 1.416 0.817 -1.647) 2.320 2.194 ( 9.216 5.321 -9.659) 14.371 2.534 ( -0.781 -0.451 -1.517) 1.765 2.575 ( -0.856 -0.494 1.063) 1.452 2.674 ( -6.545 -3.778 3.625) 8.381 4.123 ( 0.015 0.009 3.212) 3.212 5.235 ( -0.052 -0.030 0.048) 0.077 5.623 ( 3.814 2.202 -1.366) 4.611 5.711 ( 0.010 0.006 0.068) 0.069 5.725 ( -6.161 -3.557 0.231) 7.118 6.175 ( 2.915 1.683 0.556) 3.411 7.591 ( 1.066 0.616 0.800) 1.468======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -0.830 -0.479 -0.239) 0.988 2.228 ( -5.387 -3.110 -0.964) 6.295 2.505 ( -5.481 -3.165 0.125) 6.331 2.543 ( -2.051 -1.184 -3.640) 4.343 2.609 ( 5.464 3.155 -0.945) 6.380 4.063 ( -6.840 -3.949 2.987) 8.445 5.233 ( -0.206 -0.119 0.039) 0.241 5.584 ( -3.360 -1.940 0.256) 3.888 5.684 ( -2.278 -1.315 0.057) 2.631 5.774 ( 6.853 3.956 -2.841) 8.407 6.246 ( 3.392 1.959 1.357) 4.145 7.654 ( 4.306 2.486 2.120) 5.405======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( -4.722 -2.726 2.635) 6.056 2.027 ( -12.031 -6.946 4.567) 14.624 2.348 ( -7.680 -4.434 -2.116) 9.117 2.453 ( -4.485 -2.590 -1.588) 5.417 2.797 ( 10.023 5.787 -4.968) 12.595 3.814 ( -16.397 -9.467 1.752) 19.015 5.221 ( -1.042 -0.601 0.020) 1.203 5.548 ( 0.121 0.070 0.190) 0.235 5.624 ( -2.648 -1.529 0.048) 3.058 5.923 ( 7.054 4.073 -3.887) 9.026 6.348 ( 5.691 3.286 0.458) 6.587 7.793 ( 7.193 4.153 3.389) 8.970======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( -11.886 -6.863 6.641) 15.247 1.737 ( -15.354 -8.864 6.231) 18.792 2.187 ( -5.009 -2.892 -5.120) 7.725 2.323 ( -7.182 -4.147 -0.928) 8.345 2.995 ( 8.792 5.076 -5.220) 11.416 3.354 ( -24.482 -14.135 1.798) 28.327 5.179 ( -2.710 -1.565 -0.114) 3.131 5.584 ( 2.809 1.622 -0.012) 3.243 5.586 ( -0.504 -0.291 0.131) 0.597 6.052 ( 5.696 3.289 -5.050) 8.293 6.508 ( 8.513 4.915 0.570) 9.847 7.978 ( 8.031 4.637 2.645) 9.644======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( -0.000 17.342 14.015) 22.297 0.818 ( -0.000 16.337 17.873) 24.215 1.230 ( -0.000 23.113 27.807) 36.159 1.971 ( 0.000 -0.831 -6.949) 6.998 2.088 ( 0.000 7.542 -5.090) 9.099 3.366 ( 0.000 -11.449 -4.098) 12.160 5.000 ( -0.000 1.140 0.187) 1.155 5.696 ( 0.000 6.593 -5.456) 8.558 5.696 ( 0.000 -1.638 0.048) 1.639 5.757 ( 0.000 25.554 -20.122) 32.525 7.188 ( -0.000 -3.737 5.320) 6.501 8.009 ( 0.000 5.169 -11.482) 12.592======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( 3.101 20.072 7.783) 21.750 0.988 ( -2.043 15.612 18.561) 24.340 1.759 ( 21.197 21.528 17.548) 34.938 1.987 ( 5.103 -0.358 -7.017) 8.683 2.164 ( 1.188 10.702 -6.639) 12.650 3.247 ( -1.583 -4.162 -5.762) 7.282 5.035 ( 2.026 1.728 0.374) 2.689 5.661 ( -1.684 -1.818 -0.086) 2.480 5.700 ( -0.270 -1.318 -0.649) 1.494 6.000 ( 9.031 9.361 -14.976) 19.836 7.128 ( -3.110 -7.912 8.053) 11.710 7.978 ( -3.544 2.174 -14.801) 15.374======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 2.666 12.370 10.834) 16.658 1.230 ( 5.171 20.347 4.395) 21.449 2.083 ( 7.915 1.595 -5.630) 9.843 2.197 ( 5.600 6.364 2.995) 8.991 2.437 ( 18.259 19.738 -1.097) 26.911 3.220 ( 2.743 0.670 -2.247) 3.609 5.099 ( 2.869 2.605 0.567) 3.916 5.613 ( -2.013 -1.244 -0.215) 2.376 5.657 ( -1.999 -2.715 -1.107) 3.549 6.118 ( 4.207 0.137 -7.097) 8.251 6.986 ( -6.592 -10.604 10.149) 16.090 7.852 ( -6.286 -0.104 -14.998) 16.263======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( 5.622 10.712 2.892) 12.438 1.514 ( 5.618 16.670 1.284) 17.638 2.233 ( 6.988 5.831 -2.611) 9.468 2.326 ( 4.810 4.434 -0.920) 6.606 2.815 ( 9.398 6.573 -4.106) 12.181 3.393 ( 12.579 8.895 4.358) 16.011 5.179 ( 2.627 3.323 0.746) 4.301 5.575 ( -1.585 -1.451 -0.701) 2.260 5.590 ( -1.818 -1.239 -0.816) 2.346 6.116 ( -0.033 -2.835 -4.285) 5.138 6.759 ( -11.297 -11.519 7.618) 17.842 7.706 ( -4.529 -1.438 -10.401) 11.435======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 8.084 9.251 -1.985) 12.445 1.731 ( 3.753 12.068 -1.468) 12.723 2.404 ( 4.584 9.849 -0.296) 10.868 2.439 ( 5.019 2.108 -0.996) 5.534 2.906 ( 1.400 -0.500 -1.703) 2.260 3.737 ( 13.395 9.014 3.679) 16.559 5.243 ( 0.556 3.640 0.767) 3.762 5.523 ( -0.908 -1.938 -0.933) 2.335 5.598 ( 1.602 1.773 -0.335) 2.412 6.066 ( -0.725 -2.490 -2.401) 3.534 6.443 ( -14.799 -10.305 1.824) 18.125 7.617 ( -1.322 -2.670 -3.996) 4.984======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 6.938 6.789 -2.921) 10.137 1.881 ( 4.307 9.616 -4.968) 11.649 2.511 ( 2.679 0.880 -1.235) 3.078 2.561 ( 1.675 9.353 0.916) 9.546 2.876 ( -3.162 -1.794 1.123) 3.805 3.991 ( 7.844 4.582 2.652) 9.464 5.273 ( -1.527 4.014 0.520) 4.326 5.512 ( 1.588 -0.836 -0.916) 2.015 5.659 ( 2.793 2.352 -0.066) 3.651 6.045 ( -1.688 -1.289 3.224) 3.861 6.119 ( -10.340 -6.981 -4.835) 13.380 7.574 ( 0.290 -3.324 -0.549) 3.381======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 0.863 4.480 -1.612) 4.839 2.065 ( 8.851 7.700 -8.727) 14.622 2.531 ( 0.079 -0.510 -1.779) 1.852 2.625 ( -2.363 2.683 3.133) 4.754 2.793 ( -6.817 2.712 0.948) 7.398 4.115 ( 2.860 1.133 3.103) 4.369 5.279 ( -2.432 4.174 0.289) 4.839 5.551 ( 3.869 -0.400 -0.838) 3.979 5.718 ( 1.194 2.252 -0.113) 2.551 5.840 ( -10.370 -3.065 -0.264) 10.817 6.112 ( 4.641 -0.986 -0.071) 4.745 7.559 ( 1.653 -2.851 0.467) 3.328======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -1.244 2.707 -1.092) 3.173 2.215 ( 4.183 2.600 -8.153) 9.525 2.493 ( -2.222 -2.886 -0.002) 3.642 2.591 ( -0.574 -0.798 2.803) 2.970 2.711 ( -9.875 7.932 -0.923) 12.700 4.126 ( -2.744 -1.927 3.366) 4.751 5.275 ( -2.641 3.575 0.201) 4.449 5.592 ( 0.983 -3.008 0.152) 3.168 5.696 ( -3.082 0.213 -0.592) 3.145 5.763 ( 0.447 4.686 -1.764) 5.027 6.185 ( 4.900 -1.116 1.272) 5.184 7.589 ( 4.482 -1.437 1.132) 4.841======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -3.458 -0.528 0.506) 3.534 2.158 ( -7.532 -3.038 -0.636) 8.147 2.414 ( -3.682 -3.371 -1.177) 5.129 2.568 ( -9.371 1.737 0.872) 9.570 2.697 ( 5.224 7.527 -4.032) 10.010 3.984 ( -11.521 -5.865 2.619) 13.191 5.260 ( -2.714 2.150 0.276) 3.473 5.553 ( -1.034 -1.268 0.118) 1.640 5.656 ( -2.625 -0.595 0.094) 2.694 5.858 ( 4.843 5.755 -3.336) 8.228 6.269 ( 5.861 0.029 0.770) 5.912 7.693 ( 8.045 0.069 1.956) 8.280======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( -8.365 -7.090 4.154) 11.726 1.961 ( -12.574 -2.149 2.332) 12.968 2.285 ( -8.351 -0.319 -3.236) 8.962 2.419 ( -8.493 -0.440 0.205) 8.507 2.876 ( 8.834 5.369 -5.005) 11.486 3.638 ( -21.517 -9.305 2.295) 23.555 5.223 ( -3.378 0.268 0.356) 3.407 5.555 ( 1.722 0.367 -0.111) 1.764 5.609 ( -2.246 0.237 0.016) 2.259 5.985 ( 5.176 4.650 -4.209) 8.132 6.400 ( 8.508 2.004 0.723) 8.771 7.858 ( 10.027 0.701 1.369) 10.144======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -0.000 18.935 8.473) 20.745 1.254 ( -0.000 18.183 13.484) 22.637 1.860 ( -0.000 24.357 18.119) 30.357 1.911 ( 0.000 -0.167 -8.707) 8.708 2.248 ( 0.000 13.809 -8.388) 16.157 3.199 ( 0.000 -3.439 -5.597) 6.569 5.040 ( -0.000 2.833 0.280) 2.847 5.653 ( 0.000 -2.645 -0.009) 2.645 5.685 ( 0.000 -1.748 -0.915) 1.974 5.971 ( 0.000 7.554 -11.025) 13.365 7.085 ( -0.000 -11.228 8.020) 13.799 7.991 ( 0.000 2.104 -14.471) 14.623======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( -0.208 16.173 5.704) 17.151 1.449 ( -1.806 19.759 11.644) 23.006 1.942 ( 6.886 1.672 -8.741) 11.252 2.181 ( 6.368 9.856 8.544) 14.515 2.426 ( 6.541 21.435 -7.146) 23.523 3.183 ( 1.703 1.680 -1.787) 2.986 5.089 ( 1.940 3.559 0.556) 4.091 5.621 ( -0.747 -2.054 -0.206) 2.195 5.651 ( -1.130 -2.960 -1.084) 3.349 6.027 ( 3.749 0.908 -6.272) 7.364 6.969 ( -2.368 -13.771 8.610) 16.412 7.915 ( -5.244 0.692 -13.866) 14.841======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( -0.317 12.706 2.967) 13.052 1.653 ( 0.298 18.022 6.108) 19.031 2.117 ( 11.319 6.076 -4.771) 13.704 2.320 ( 2.779 5.895 -0.744) 6.559 2.726 ( 8.377 10.112 -5.079) 14.079 3.323 ( 8.149 10.930 3.965) 14.198 5.173 ( 2.928 4.462 1.057) 5.440 5.585 ( -2.167 -2.720 -1.037) 3.629 5.596 ( -0.627 -1.133 -0.717) 1.480 6.051 ( 2.215 -3.167 -4.136) 5.660 6.795 ( -5.251 -14.576 7.788) 17.340 7.763 ( -7.194 -0.793 -11.073) 13.228======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 2.618 11.281 0.308) 11.584 1.823 ( 0.527 12.868 1.477) 12.963 2.354 ( 8.092 5.432 -0.673) 9.770 2.439 ( 4.551 10.790 -1.364) 11.790 2.852 ( 3.733 0.800 -3.276) 5.031 3.635 ( 11.509 12.220 3.600) 17.168 5.270 ( 2.162 5.235 1.549) 5.872 5.519 ( -1.703 -2.613 -1.079) 3.300 5.594 ( 0.553 1.201 -0.996) 1.655 6.024 ( 0.673 -3.787 -3.476) 5.185 6.555 ( -9.796 -12.815 4.196) 16.667 7.618 ( -4.432 -2.783 -5.852) 7.851======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 4.834 10.366 -1.332) 11.515 1.933 ( 0.249 9.170 -1.091) 9.238 2.464 ( 3.581 1.175 -0.709) 3.835 2.641 ( 2.387 11.651 1.296) 11.963 2.893 ( 1.380 2.531 -1.295) 3.160 3.909 ( 8.722 6.592 2.069) 11.127 5.343 ( -0.350 5.555 1.548) 5.778 5.482 ( 0.198 -1.403 -0.966) 1.715 5.633 ( 2.507 2.019 -0.918) 3.347 6.000 ( 1.698 -2.585 -2.821) 4.186 6.264 ( -12.752 -8.565 1.097) 15.401 7.529 ( -0.655 -4.592 -1.554) 4.892======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 2.613 8.507 -1.438) 9.015 2.020 ( 2.545 7.466 -3.813) 8.761 2.509 ( 1.543 0.043 -1.226) 1.971 2.686 ( -2.600 -2.015 3.515) 4.814 2.965 ( -3.434 14.432 -1.353) 14.896 4.068 ( 5.149 1.543 2.239) 5.823 5.374 ( -2.496 5.170 0.913) 5.813 5.493 ( 2.238 -0.289 -0.605) 2.336 5.701 ( 3.299 1.977 -0.659) 3.902 5.973 ( -6.545 -4.655 -4.136) 9.034 6.043 ( -1.380 -0.943 2.725) 3.197 7.490 ( 1.689 -5.002 0.076) 5.280======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -2.372 5.899 -0.597) 6.386 2.144 ( 5.134 5.420 -6.747) 10.063 2.507 ( -1.211 -1.130 -0.942) 1.906 2.603 ( -2.531 -5.140 4.428) 7.241 2.996 ( -10.280 15.624 -1.420) 18.756 4.132 ( 1.405 -1.517 2.797) 3.478 5.370 ( -3.443 3.887 0.437) 5.211 5.533 ( 2.716 -1.068 0.054) 2.919 5.768 ( 1.507 3.629 -1.446) 4.187 5.807 ( -6.695 0.114 -1.317) 6.824 6.084 ( 4.707 -2.151 1.277) 5.330 7.492 ( 3.904 -4.169 0.449) 5.729======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( -4.815 2.578 -0.326) 5.472 2.202 ( -0.615 0.801 -5.677) 5.767 2.436 ( -3.269 -3.176 1.454) 4.783 2.593 ( 2.748 -0.304 2.194) 3.530 2.915 ( -14.270 12.344 -1.789) 18.953 4.088 ( -5.183 -3.872 2.403) 6.902 5.341 ( -3.654 2.217 0.610) 4.317 5.543 ( 0.422 -2.123 0.067) 2.166 5.726 ( -4.750 2.635 0.010) 5.432 5.841 ( 2.855 5.137 -3.284) 6.733 6.158 ( 6.321 -2.130 1.181) 6.774 7.551 ( 7.252 -2.906 0.665) 7.841======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( -7.970 -2.788 1.168) 8.524 2.112 ( -7.353 -1.190 -1.999) 7.712 2.368 ( -3.360 -0.801 0.061) 3.455 2.607 ( -7.233 1.267 1.739) 7.547 2.829 ( -2.028 7.741 -3.270) 8.645 3.883 ( -14.788 -5.461 1.889) 15.877 5.295 ( -3.974 0.877 1.135) 4.225 5.532 ( 0.705 -0.908 -0.446) 1.233 5.670 ( -4.180 1.408 -0.420) 4.430 5.942 ( 4.127 5.081 -3.393) 7.373 6.270 ( 8.299 -0.283 1.094) 8.376 7.678 ( 10.300 -2.116 -0.063) 10.515======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -0.000 15.440 2.776) 15.687 1.676 ( -0.000 16.892 10.748) 20.021 1.861 ( 0.000 1.591 -9.995) 10.121 2.246 ( -0.000 7.768 4.832) 9.148 2.549 ( 0.000 19.270 -7.931) 20.838 3.211 ( -0.000 8.410 2.319) 8.724 5.111 ( -0.000 4.072 0.468) 4.099 5.603 ( 0.000 -2.134 -0.178) 2.141 5.629 ( 0.000 -3.100 -1.035) 3.268 5.984 ( 0.000 -0.488 -3.633) 3.666 6.868 ( -0.000 -15.700 7.126) 17.242 7.923 ( 0.000 -0.241 -12.427) 12.429======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( -2.248 11.184 -1.649) 11.526 1.825 ( 0.083 9.039 5.430) 10.545 1.987 ( 9.933 11.630 -3.983) 15.804 2.327 ( 2.007 4.767 -1.157) 5.300 2.707 ( 3.385 9.252 -4.528) 10.843 3.375 ( 3.315 16.933 5.018) 17.969 5.173 ( 2.395 4.367 0.788) 5.042 5.582 ( -1.149 -2.832 -0.901) 3.187 5.590 ( -0.126 -1.036 -0.571) 1.189 5.977 ( 1.563 -2.877 -1.994) 3.834 6.720 ( -1.576 -16.174 5.748) 17.237 7.832 ( -5.318 -1.422 -10.196) 11.588======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 0.615 9.112 -2.575) 9.489 1.925 ( 1.177 7.146 1.154) 7.334 2.282 ( 8.895 10.375 1.257) 13.723 2.434 ( 6.553 8.632 -2.530) 11.129 2.797 ( 2.651 1.537 -1.759) 3.533 3.639 ( 5.706 16.746 3.437) 18.022 5.275 ( 3.713 4.877 1.453) 6.300 5.522 ( -1.961 -2.429 -1.069) 3.299 5.593 ( 0.419 1.037 -1.075) 1.552 5.961 ( 1.159 -3.758 -1.700) 4.284 6.541 ( -3.605 -14.917 3.806) 15.812 7.675 ( -7.174 -2.590 -6.780) 10.204======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 3.613 9.198 -1.756) 10.037 2.008 ( 0.792 6.319 -0.040) 6.369 2.421 ( 3.172 2.492 0.548) 4.071 2.687 ( 4.831 9.022 1.289) 10.315 2.866 ( 6.570 5.998 -1.317) 8.993 3.872 ( 5.048 10.106 1.308) 11.372 5.384 ( 2.455 4.590 2.208) 5.654 5.474 ( -0.989 -0.907 -1.138) 1.759 5.616 ( 1.069 1.912 -1.766) 2.813 5.942 ( 1.250 -2.630 -1.865) 3.458 6.337 ( -6.434 -11.249 1.695) 13.070 7.524 ( -4.795 -3.889 -3.008) 6.868======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 4.445 8.768 -2.003) 10.033 2.074 ( -0.080 6.135 0.048) 6.135 2.480 ( 1.964 0.819 -0.119) 2.131 2.699 ( -2.155 -4.373 2.167) 5.335 3.127 ( 4.972 18.938 -0.693) 19.592 4.007 ( 3.795 2.369 0.820) 4.548 5.437 ( 0.073 1.446 0.760) 1.635 5.480 ( 0.276 2.735 0.338) 2.770 5.651 ( 2.587 0.259 -1.783) 3.153 5.943 ( 1.291 -0.963 -2.234) 2.754 6.140 ( -7.312 -5.036 1.247) 8.966 7.428 ( -0.889 -4.774 -0.663) 4.901======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 1.886 7.844 -2.680) 8.501 2.124 ( -0.011 5.221 -0.447) 5.240 2.504 ( 0.503 0.089 -0.717) 0.881 2.599 ( -3.028 -7.299 2.946) 8.433 3.312 ( -5.959 19.660 -0.915) 20.563 4.068 ( 3.956 -3.126 1.573) 5.282 5.446 ( -1.357 1.849 0.246) 2.307 5.500 ( 0.095 0.770 0.159) 0.792 5.703 ( 5.260 -1.639 -1.738) 5.777 5.922 ( -3.714 1.710 -0.769) 4.161 6.042 ( -1.540 -0.273 0.854) 1.782 7.394 ( 2.227 -4.630 0.035) 5.138======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( -5.737 5.232 -0.257) 7.769 2.188 ( 1.801 2.878 -4.534) 5.664 2.463 ( -2.995 -3.714 1.773) 5.090 2.547 ( 2.217 -2.079 2.088) 3.687 3.293 ( -15.053 14.206 -0.826) 20.715 4.087 ( 1.505 -4.317 1.493) 4.809 5.418 ( -3.525 1.151 0.657) 3.766 5.510 ( 1.163 -1.223 -0.068) 1.689 5.769 ( 3.607 -0.859 -3.091) 4.827 5.890 ( -3.927 6.661 0.613) 7.756 6.051 ( 3.258 -1.917 0.685) 3.842 7.414 ( 5.059 -3.592 0.017) 6.205======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( -9.035 0.310 -0.097) 9.041 2.179 ( -2.987 -0.074 -4.369) 5.293 2.409 ( -1.898 -0.409 2.529) 3.189 2.606 ( 4.349 0.082 2.017) 4.795 3.108 ( -17.697 7.007 -0.670) 19.045 4.021 ( -5.937 -3.405 0.767) 6.887 5.369 ( -3.552 0.456 1.542) 3.899 5.511 ( 0.489 -1.026 -0.525) 1.252 5.752 ( -3.608 0.342 -2.464) 4.383 5.933 ( 1.312 5.499 -1.507) 5.851 6.127 ( 7.678 -1.868 1.412) 8.027 7.496 ( 8.124 -2.408 -0.716) 8.503======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 0.000 8.501 -5.754) 10.265 1.810 ( 0.000 0.535 -5.005) 5.034 2.070 ( -0.000 16.483 3.882) 16.934 2.344 ( 0.000 3.703 -1.890) 4.158 2.750 ( -0.000 5.671 -0.124) 5.672 3.552 ( -0.000 20.615 4.623) 21.127 5.189 ( -0.000 3.274 0.503) 3.312 5.566 ( 0.000 -2.529 -0.946) 2.700 5.582 ( 0.000 0.443 -0.278) 0.522 5.934 ( -0.000 -2.978 0.251) 2.988 6.589 ( -0.000 -15.941 3.285) 16.275 7.829 ( 0.000 -2.543 -8.506) 8.878======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -0.722 5.214 -6.113) 8.068 1.892 ( 6.312 1.729 -4.609) 8.004 2.286 ( 5.725 13.914 3.110) 15.364 2.399 ( 3.607 4.866 -1.483) 6.236 2.793 ( 0.102 1.695 2.406) 2.945 3.770 ( 1.253 18.554 2.658) 18.785 5.250 ( 3.692 2.700 0.628) 4.616 5.529 ( -1.472 -1.577 -1.020) 2.387 5.598 ( 0.367 2.088 -0.451) 2.167 5.913 ( 0.480 -3.158 1.407) 3.490 6.440 ( -1.021 -14.270 1.175) 14.355 7.734 ( -4.916 -3.236 -6.191) 8.542======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 3.824 6.209 -3.299) 8.004 1.995 ( 5.305 1.990 -2.669) 6.263 2.417 ( 1.409 3.585 1.343) 4.079 2.653 ( 11.626 11.341 0.033) 16.242 2.809 ( 2.262 0.449 2.609) 3.482 3.946 ( 0.541 12.798 0.572) 12.823 5.358 ( 5.207 2.476 1.109) 5.871 5.488 ( -1.637 -0.201 -1.203) 2.042 5.627 ( 0.145 3.067 -0.924) 3.207 5.898 ( 0.813 -2.606 1.388) 3.062 6.290 ( -2.054 -11.582 -0.139) 11.764 7.583 ( -6.825 -3.276 -3.551) 8.361======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( 5.267 6.569 -1.483) 8.550 2.093 ( 3.952 3.265 -0.796) 5.188 2.465 ( 1.206 1.579 0.756) 2.126 2.706 ( -2.889 -3.541 1.684) 4.870 3.105 ( 16.191 13.366 0.601) 21.004 4.028 ( -1.535 5.782 -0.471) 6.001 5.437 ( 1.047 0.587 0.644) 1.362 5.488 ( 1.757 1.767 -0.015) 2.492 5.644 ( -1.109 2.012 -1.441) 2.712 5.909 ( 2.052 -0.252 0.085) 2.070 6.156 ( -2.371 -7.709 0.046) 8.065 7.440 ( -5.251 -3.019 -1.371) 6.210======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 4.342 5.366 -1.258) 7.016 2.183 ( 2.027 4.930 0.205) 5.335 2.493 ( 0.806 0.455 0.299) 0.972 2.596 ( -4.450 -6.585 1.053) 8.017 3.479 ( 9.844 15.772 0.252) 18.594 4.006 ( -2.442 -2.417 -0.158) 3.439 5.455 ( 0.578 1.299 -0.230) 1.441 5.535 ( 0.974 1.446 1.168) 2.098 5.614 ( -0.829 -2.339 -1.477) 2.888 5.951 ( 1.208 2.295 -0.840) 2.726 6.076 ( -1.386 -2.535 0.722) 2.978 7.350 ( -1.785 -2.762 -0.277) 3.300======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 2.341 3.234 -1.787) 4.374 2.242 ( -2.496 6.344 -0.096) 6.818 2.460 ( -2.597 -7.813 1.754) 8.418 2.507 ( 0.822 -0.185 0.164) 0.858 3.653 ( -10.151 14.556 -0.234) 17.748 3.960 ( 6.258 -8.229 0.494) 10.350 5.475 ( 0.153 0.878 0.497) 1.020 5.510 ( -4.161 0.520 0.086) 4.195 5.643 ( 7.073 -2.005 -1.634) 7.531 5.979 ( -0.042 2.044 0.784) 2.190 6.043 ( -2.281 0.283 -0.351) 2.325 7.327 ( 1.801 -1.915 -0.086) 2.630======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -7.911 -0.787 0.346) 7.958 2.207 ( -2.421 2.943 -4.619) 5.989 2.425 ( 1.382 -1.096 3.992) 4.364 2.535 ( 3.414 -0.585 0.787) 3.552 3.460 ( -18.311 1.090 0.445) 18.348 4.018 ( 3.076 -1.571 -0.302) 3.468 5.439 ( -3.938 0.326 1.520) 4.234 5.493 ( 0.675 -0.257 -0.317) 0.789 5.738 ( 4.108 0.666 -3.732) 5.590 5.998 ( -2.657 3.120 0.656) 4.150 6.010 ( 3.054 -3.109 0.790) 4.430 7.371 ( 4.752 -0.321 -0.527) 4.792======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( 0.000 2.665 -9.459) 9.827 1.799 ( 0.000 1.162 -3.510) 3.697 2.371 ( -0.000 12.206 2.318) 12.424 2.409 ( -0.000 3.460 0.519) 3.499 2.818 ( -0.000 0.283 4.304) 4.313 3.939 ( -0.000 16.022 1.119) 16.061 5.232 ( -0.000 0.925 0.234) 0.954 5.529 ( 0.000 -0.471 -1.019) 1.122 5.620 ( -0.000 3.277 -0.140) 3.280 5.888 ( -0.000 -3.277 3.926) 5.114 6.324 ( 0.000 -10.986 -1.677) 11.113 7.724 ( 0.000 -3.778 -4.772) 6.086======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 2.568 4.020 -3.793) 6.094 1.879 ( 7.072 0.511 -3.801) 8.045 2.441 ( 0.177 2.910 1.333) 3.206 2.563 ( 9.303 9.370 0.635) 13.219 2.814 ( -1.110 -1.651 4.037) 4.501 4.070 ( -0.579 11.302 -0.491) 11.327 5.282 ( 4.956 0.629 0.165) 4.999 5.514 ( -1.425 0.821 -1.068) 1.961 5.656 ( 0.212 3.540 -0.106) 3.548 5.868 ( 0.338 -4.372 4.683) 6.415 6.220 ( -1.406 -6.721 -3.147) 7.554 7.638 ( -4.277 -3.316 -3.010) 6.193======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 5.682 5.128 -0.373) 7.662 2.004 ( 7.715 0.942 -1.562) 7.928 2.471 ( 0.394 1.386 1.102) 1.814 2.731 ( -1.987 -1.812 0.609) 2.757 2.909 ( 16.425 5.899 1.881) 17.553 4.128 ( -2.460 6.380 -1.378) 6.976 5.386 ( 5.615 0.250 0.277) 5.628 5.499 ( -1.283 1.896 -1.015) 2.504 5.688 ( -0.570 3.157 -0.044) 3.208 5.856 ( 2.486 -4.172 3.355) 5.902 6.126 ( -2.636 -3.708 -2.526) 5.203 7.514 ( -6.198 -1.964 -1.401) 6.651======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( 5.382 4.188 1.216) 6.927 2.134 ( 6.551 1.573 -0.745) 6.778 2.489 ( 0.448 0.300 0.750) 0.924 2.631 ( -5.296 -4.195 -0.404) 6.768 3.294 ( 20.751 4.770 0.832) 21.309 4.097 ( -5.868 2.132 -1.266) 6.371 5.451 ( 2.290 0.286 -0.176) 2.315 5.501 ( 0.228 0.028 0.005) 0.230 5.680 ( -3.874 2.212 0.608) 4.502 5.912 ( 5.677 -0.350 0.332) 5.697 6.055 ( -1.400 -2.259 -0.502) 2.705 7.398 ( -5.526 -0.664 -0.364) 5.578======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( 3.230 2.834 1.578) 4.578 2.244 ( 5.814 0.462 -0.386) 5.845 2.472 ( -4.733 -4.227 -0.685) 6.383 2.510 ( -1.799 0.217 -0.525) 1.887 3.651 ( 17.996 -1.183 0.162) 18.035 3.964 ( -10.801 1.012 -0.373) 10.854 5.479 ( -0.003 1.057 -0.310) 1.102 5.513 ( 3.543 -3.443 -0.635) 4.981 5.626 ( -4.898 4.061 1.860) 6.628 5.989 ( 0.981 1.760 -1.115) 2.302 6.038 ( 1.890 -2.217 0.685) 2.993 7.326 ( -2.554 0.480 0.073) 2.599======================= 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 4.65e-08 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( -0.878 -1.521 -0.000) 1.757 2.327 ( -2.512 -4.350 -0.000) 5.023 2.351 ( 2.278 3.946 0.000) 4.557 2.509 ( 0.188 0.326 -0.000) 0.376 3.661 ( -8.325 -14.419 -0.000) 16.649 3.946 ( 4.270 7.395 -0.000) 8.539 5.485 ( 0.268 0.464 -0.000) 0.536 5.493 ( -1.661 -2.877 0.000) 3.322 5.675 ( 3.439 5.957 0.000) 6.879 5.972 ( -1.531 -2.651 0.000) 3.061 6.043 ( -0.439 -0.761 -0.000) 0.878 7.329 ( 1.271 2.201 -0.000) 2.542======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 0.000 3.788 -2.243) 4.402 1.812 ( 0.000 1.560 -0.703) 1.711 2.467 ( -0.000 1.539 1.400) 2.080 2.559 ( -0.000 6.144 0.414) 6.158 2.815 ( -0.000 -2.901 2.908) 4.107 4.164 ( 0.000 7.604 -1.610) 7.772 5.238 ( -0.000 -0.055 0.020) 0.059 5.539 ( 0.000 2.096 -0.840) 2.258 5.684 ( -0.000 2.828 -0.052) 2.829 5.824 ( -0.000 -6.977 4.866) 8.506 6.189 ( 0.000 -0.708 -3.756) 3.822 7.637 ( 0.000 -2.641 -1.990) 3.307======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 3.906 3.553 0.989) 5.372 1.891 ( 6.194 3.200 1.799) 7.200 2.481 ( 0.043 0.473 1.332) 1.414 2.681 ( 8.252 2.578 -1.007) 8.703 2.781 ( 0.291 -3.500 1.699) 3.902 4.203 ( -1.179 3.720 -2.238) 4.498 5.286 ( 5.357 -0.063 -0.125) 5.359 5.547 ( -1.657 2.881 -0.594) 3.376 5.711 ( 0.538 1.707 0.221) 1.804 5.777 ( 1.451 -6.793 3.070) 7.595 6.162 ( -2.924 1.612 -2.480) 4.159 7.582 ( -3.705 -0.849 -0.973) 3.923======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( 6.379 1.035 1.510) 6.637 2.046 ( 5.824 4.013 3.113) 7.728 2.486 ( 0.147 -0.501 0.987) 1.117 2.669 ( -3.645 -3.279 -2.434) 5.474 2.972 ( 18.827 -0.741 1.011) 18.869 4.181 ( -3.014 0.353 -2.098) 3.689 5.379 ( 5.139 -0.829 -0.480) 5.227 5.535 ( -2.221 1.587 -0.094) 2.731 5.740 ( -0.011 1.920 1.318) 2.329 5.783 ( 5.628 -3.814 1.039) 6.877 6.109 ( -4.535 2.054 -1.139) 5.107 7.499 ( -5.916 1.041 -0.257) 6.012======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( 7.066 -1.663 2.091) 7.554 2.157 ( 3.067 1.398 1.991) 3.915 2.474 ( -0.564 -2.615 -0.546) 2.730 2.571 ( -4.101 0.303 -2.794) 4.971 3.286 ( 20.261 -5.759 0.524) 21.070 4.100 ( -5.188 -1.189 -1.123) 5.440 5.426 ( 2.905 -2.129 -1.081) 3.761 5.508 ( -1.732 0.320 0.274) 1.783 5.738 ( -2.617 2.055 3.263) 4.660 5.897 ( 8.296 -0.303 -0.700) 8.331 6.057 ( -3.758 2.209 -0.465) 4.384 7.413 ( -5.788 2.393 0.217) 6.267======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( -0.000 1.520 1.547) 2.169 1.916 ( -0.000 7.263 7.582) 10.499 2.485 ( -0.000 -0.420 1.380) 1.442 2.609 ( 0.000 -0.860 -0.943) 1.276 2.747 ( 0.000 -4.408 -1.291) 4.593 4.223 ( 0.000 0.119 -2.815) 2.818 5.236 ( 0.000 -0.060 -0.049) 0.078 5.595 ( -0.000 3.289 0.396) 3.313 5.707 ( -0.000 -5.448 1.092) 5.557 5.713 ( 0.000 0.011 -0.068) 0.068 6.207 ( 0.000 2.731 -1.295) 3.022 7.613 ( 0.000 1.256 -0.520) 1.360======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 3.712 0.547 1.787) 4.156 2.042 ( 2.887 5.950 8.903) 11.090 2.479 ( -0.197 -1.526 1.025) 1.849 2.657 ( 3.843 -2.156 -3.298) 5.504 2.707 ( 5.943 -4.948 -0.466) 7.747 4.189 ( -0.897 -3.699 -2.855) 4.758 5.281 ( 4.828 -0.409 -0.333) 4.857 5.586 ( -2.350 -0.679 0.828) 2.582 5.693 ( 1.624 -1.171 -0.355) 2.033 5.736 ( 2.249 1.124 1.042) 2.722 6.202 ( -3.233 2.945 -0.471) 4.398 7.603 ( -3.770 3.424 -0.245) 5.099======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 4.970 -2.536 1.177) 5.703 2.144 ( 2.047 1.115 6.130) 6.558 2.448 ( -0.455 -3.811 -0.951) 3.954 2.620 ( -2.092 1.377 -3.462) 4.273 2.900 ( 18.181 -6.653 1.305) 19.404 4.110 ( -1.357 -6.727 -2.126) 7.184 5.349 ( 3.936 -1.824 -1.050) 4.463 5.541 ( -1.986 -0.876 0.482) 2.223 5.723 ( 3.848 -2.801 0.604) 4.797 5.815 ( 3.295 4.717 2.032) 6.102 6.166 ( -4.753 4.287 -0.490) 6.420 7.554 ( -6.450 4.748 0.061) 8.010======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -0.000 0.616 1.968) 2.063 2.102 ( -0.000 2.914 10.498) 10.895 2.479 ( -0.000 -1.018 2.222) 2.444 2.518 ( 0.000 -7.475 -1.187) 7.568 2.658 ( 0.000 -1.097 -4.369) 4.504 4.126 ( 0.000 -8.649 -3.234) 9.234 5.234 ( 0.000 -0.190 -0.125) 0.228 5.581 ( -0.000 -3.334 0.618) 3.391 5.685 ( 0.000 -2.689 -0.034) 2.689 5.738 ( -0.000 6.449 0.742) 6.492 6.258 ( -0.000 3.274 0.036) 3.274 7.680 ( 0.000 5.782 -0.460) 5.800======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 1.479 -1.995 0.768) 2.600 2.128 ( 1.021 -4.244 5.374) 6.923 2.412 ( -0.817 -5.655 -0.539) 5.739 2.572 ( 8.957 -8.144 0.270) 12.109 2.674 ( 1.849 6.661 0.353) 6.922 4.011 ( 0.378 -13.271 -2.884) 13.586 5.263 ( 3.492 -1.216 -0.508) 3.732 5.552 ( -0.654 -1.482 0.349) 1.657 5.658 ( 0.830 -2.674 -0.168) 2.805 5.830 ( 2.187 6.512 2.505) 7.312 6.274 ( -2.668 4.954 -0.118) 5.628 7.705 ( -4.288 7.132 -0.571) 8.342======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 0.000 -3.262 -1.219) 3.483 2.048 ( 0.000 -11.321 0.152) 11.322 2.331 ( -0.000 -10.611 1.220) 10.681 2.441 ( -0.000 -4.604 0.930) 4.696 2.754 ( -0.000 10.329 3.762) 10.992 3.836 ( 0.000 -19.398 -2.921) 19.617 5.221 ( 0.000 -1.234 -0.151) 1.243 5.549 ( 0.000 0.147 -0.049) 0.155 5.624 ( 0.000 -3.050 0.015) 3.050 5.889 ( -0.000 7.385 3.254) 8.070 6.350 ( -0.000 6.523 -0.122) 6.524 7.816 ( 0.000 8.509 -1.339) 8.614======================= 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 4.65e-08 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( -0.000 0.000 21.377) 21.377 0.647 ( -0.000 0.000 21.377) 21.377 1.091 ( -0.000 0.000 36.999) 36.999 1.977 ( 0.000 -0.000 -6.466) 6.466 1.977 ( 0.000 -0.000 -6.466) 6.466 3.614 ( 0.000 -0.000 -16.196) 16.196 4.994 ( -0.000 0.000 0.335) 0.335 4.994 ( -0.000 0.000 0.335) 0.335 5.711 ( 0.000 -0.000 -0.027) 0.027 5.711 ( 0.000 -0.000 -0.027) 0.027 7.218 ( -0.000 0.000 4.115) 4.115 7.942 ( 0.000 -0.000 -1.464) 1.464======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( 5.679 3.279 17.654) 18.833 0.872 ( 5.987 3.456 22.779) 23.805 1.471 ( 22.439 12.955 23.947) 35.282 1.975 ( 3.334 1.925 -7.779) 8.679 2.006 ( 2.692 1.554 -5.875) 6.647 3.329 ( -9.291 -5.364 -7.971) 13.365 5.015 ( 1.487 0.858 0.355) 1.753 5.614 ( 29.576 17.075 -18.463) 38.822 5.688 ( -1.720 -0.993 -0.040) 1.986 5.719 ( 1.631 0.941 -1.905) 2.679 7.226 ( -1.485 -0.857 5.371) 5.638 7.922 ( -1.531 -0.884 -8.218) 8.406======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 11.827 6.828 11.084) 17.589 1.061 ( 5.581 3.222 17.383) 18.539 2.061 ( 3.810 2.200 -5.054) 6.701 2.064 ( 10.541 6.086 -11.710) 16.890 2.100 ( 22.910 13.227 15.628) 30.726 3.205 ( -0.555 -0.320 -6.612) 6.643 5.062 ( 2.622 1.514 0.287) 3.041 5.640 ( -2.453 -1.416 -0.020) 2.832 5.692 ( -1.820 -1.051 -0.884) 2.280 6.022 ( 11.224 6.480 -11.674) 17.443 7.163 ( -6.621 -3.822 10.121) 12.684 7.817 ( -4.030 -2.327 -15.149) 15.848======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 7.224 4.171 7.454) 11.187 1.274 ( 12.688 7.325 6.063) 15.855 2.147 ( 5.228 3.018 -3.763) 7.113 2.224 ( 8.067 4.658 -4.479) 10.336 2.635 ( 18.129 10.467 1.233) 20.970 3.271 ( 8.487 4.900 -0.137) 9.801 5.131 ( 3.268 1.887 0.267) 3.783 5.590 ( -1.747 -1.009 -0.049) 2.018 5.628 ( -3.299 -1.905 -1.181) 3.988 6.123 ( 1.416 0.817 -5.966) 6.186 6.979 ( -13.066 -7.544 10.171) 18.196 7.689 ( -2.550 -1.472 -13.307) 13.628======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 9.455 5.459 0.048) 10.918 1.544 ( 10.002 5.775 2.196) 11.756 2.272 ( 6.769 3.908 -1.859) 8.034 2.378 ( 6.287 3.630 -2.197) 7.585 2.876 ( 5.150 2.974 -2.758) 6.556 3.573 ( 15.567 8.987 3.827) 18.378 5.198 ( 2.352 1.358 0.316) 2.734 5.555 ( -2.555 -1.475 -0.846) 3.069 5.575 ( 0.687 0.397 -0.123) 0.803 6.093 ( -1.732 -1.000 -3.854) 4.342 6.653 ( -17.368 -10.028 3.614) 20.378 7.629 ( -0.599 -0.346 -5.139) 5.185======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 10.891 6.288 -4.594) 13.389 1.727 ( 6.273 3.622 -0.531) 7.263 2.425 ( 6.732 3.887 -0.006) 7.773 2.482 ( 3.583 2.069 -1.981) 4.587 2.910 ( -1.071 -0.618 -0.216) 1.255 3.893 ( 11.209 6.471 3.046) 13.296 5.231 ( 0.625 0.361 0.259) 0.767 5.520 ( -0.255 -0.147 -0.646) 0.710 5.619 ( 2.914 1.682 -0.080) 3.366 6.060 ( 0.122 0.070 -1.267) 1.275 6.271 ( -16.373 -9.453 -0.980) 18.932 7.609 ( -0.678 -0.391 -0.449) 0.902======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 3.550 2.050 -1.817) 4.484 1.888 ( 11.260 6.501 -8.124) 15.331 2.525 ( 0.941 0.543 -2.203) 2.456 2.549 ( 3.815 2.203 1.024) 4.523 2.838 ( -5.319 -3.071 1.687) 6.370 4.084 ( 5.308 3.064 3.272) 6.948 5.236 ( -0.025 -0.014 0.125) 0.129 5.539 ( 2.198 1.269 -0.846) 2.676 5.683 ( 2.395 1.383 0.034) 2.766 5.942 ( -12.324 -7.115 -0.070) 14.231 6.101 ( 3.267 1.886 -0.731) 3.843 7.593 ( -0.647 -0.374 0.702) 1.026======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 1.720 0.993 -2.007) 2.824 2.097 ( 9.559 5.519 -10.632) 15.326 2.518 ( -0.667 -0.385 -1.844) 1.998 2.586 ( -1.018 -0.588 1.272) 1.732 2.706 ( -6.458 -3.729 3.046) 8.055 4.157 ( 0.054 0.031 3.828) 3.828 5.235 ( -0.065 -0.037 0.060) 0.096 5.610 ( 3.958 2.285 -1.192) 4.723 5.711 ( 0.012 0.007 0.084) 0.086 5.724 ( -6.706 -3.872 -0.418) 7.755 6.182 ( 3.429 1.980 1.047) 4.096 7.599 ( 1.338 0.772 0.881) 1.778======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 0.038 0.022 -1.251) 1.252 2.188 ( -0.434 -0.250 -7.161) 7.178 2.506 ( -0.372 -0.215 -3.526) 3.552 2.509 ( -6.109 -3.527 0.756) 7.094 2.622 ( 0.391 0.226 3.008) 3.042 4.094 ( -7.264 -4.194 3.482) 9.082 5.233 ( -0.198 -0.114 0.091) 0.246 5.584 ( -3.250 -1.876 -0.163) 3.756 5.684 ( -2.297 -1.326 0.051) 2.653 5.751 ( 6.265 3.617 -1.940) 7.490 6.256 ( 3.195 1.845 0.636) 3.744 7.671 ( 4.862 2.807 1.432) 5.794======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -0.000 12.581 17.223) 21.328 0.983 ( -0.000 14.134 16.900) 22.031 1.497 ( -0.000 17.242 28.096) 32.964 1.898 ( 0.000 -1.249 -8.332) 8.425 2.030 ( 0.000 7.455 -7.024) 10.242 3.300 ( 0.000 -10.564 -9.746) 14.373 5.003 ( -0.000 1.109 0.351) 1.163 5.545 ( 0.000 32.177 -16.034) 35.950 5.696 ( 0.000 -1.623 -0.033) 1.623 5.708 ( 0.000 0.196 -0.750) 0.775 7.239 ( -0.000 -2.130 5.301) 5.713 7.920 ( 0.000 -0.100 -7.757) 7.757======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( 1.138 16.222 11.475) 19.903 1.168 ( -1.078 12.456 19.364) 23.050 1.866 ( 9.935 8.338 -3.183) 13.355 1.970 ( 13.511 10.618 10.994) 20.399 2.093 ( 0.798 9.120 -7.943) 12.120 3.181 ( -0.943 -2.863 -8.259) 8.792 5.039 ( 2.059 1.780 0.361) 2.745 5.660 ( -1.679 -1.833 -0.117) 2.488 5.693 ( -0.354 -1.572 -0.699) 1.757 5.870 ( 10.901 13.748 -12.195) 21.367 7.206 ( -1.863 -6.629 8.426) 10.882 7.846 ( -4.750 0.174 -13.097) 13.933======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 3.527 11.716 6.648) 13.925 1.325 ( -0.506 15.566 14.198) 21.075 2.021 ( 10.144 2.178 -7.254) 12.659 2.182 ( 2.881 8.033 -5.563) 10.187 2.459 ( 17.747 14.994 5.046) 23.775 3.194 ( 5.098 3.731 -3.101) 7.037 5.104 ( 2.849 2.828 0.385) 4.033 5.611 ( -2.008 -1.401 -0.108) 2.451 5.647 ( -2.088 -2.768 -1.125) 3.645 6.053 ( 5.398 2.015 -6.617) 8.774 7.086 ( -6.394 -11.436 10.928) 17.061 7.711 ( -5.659 1.156 -14.597) 15.698======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 3.308 8.912 3.895) 10.273 1.547 ( 3.240 15.237 5.696) 16.586 2.203 ( 8.362 6.442 -3.684) 11.180 2.305 ( 5.285 5.484 -3.231) 8.273 2.785 ( 8.822 5.232 -2.628) 10.588 3.427 ( 13.604 10.090 2.791) 17.166 5.185 ( 2.548 3.686 0.515) 4.510 5.568 ( -1.951 -2.228 -0.621) 3.026 5.584 ( -1.304 -0.676 -0.540) 1.565 6.074 ( 0.492 -2.219 -4.624) 5.153 6.825 ( -13.565 -12.926 5.925) 19.652 7.620 ( -1.716 0.227 -7.406) 7.606======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 5.957 8.967 0.017) 10.766 1.731 ( 2.172 10.917 1.297) 11.207 2.397 ( 5.573 10.534 -1.308) 11.989 2.425 ( 4.910 2.547 -1.926) 5.857 2.889 ( 2.693 0.083 -1.830) 3.257 3.768 ( 13.114 8.615 2.750) 15.929 5.250 ( 0.332 3.988 0.593) 4.045 5.515 ( -0.831 -2.014 -0.580) 2.254 5.595 ( 1.781 1.599 -0.284) 2.411 6.038 ( 0.309 -2.134 -3.484) 4.097 6.457 ( -16.689 -10.802 1.002) 19.905 7.592 ( 0.439 -2.131 -1.101) 2.438======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( 6.770 7.828 -2.642) 10.682 1.848 ( 1.531 8.448 -1.963) 8.808 2.495 ( 2.447 0.950 -2.001) 3.301 2.568 ( 2.147 10.338 0.542) 10.573 2.880 ( -2.153 -1.904 -0.291) 2.889 4.017 ( 8.085 4.390 2.729) 9.597 5.277 ( -1.781 4.243 0.444) 4.623 5.505 ( 1.534 -0.899 -0.493) 1.845 5.658 ( 2.938 2.278 -0.146) 3.721 6.036 ( 1.262 -2.066 -5.302) 5.829 6.110 ( -12.664 -5.991 3.189) 14.368 7.575 ( 0.742 -3.374 0.811) 3.549======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 0.632 4.874 -1.452) 5.124 1.987 ( 6.920 8.073 -7.600) 13.070 2.513 ( 0.169 -0.216 -1.926) 1.946 2.650 ( -2.233 4.972 2.329) 5.927 2.797 ( -5.986 0.600 0.033) 6.016 4.146 ( 3.213 1.000 3.435) 4.808 5.282 ( -2.591 4.324 0.288) 5.049 5.545 ( 3.785 -0.137 -0.418) 3.811 5.716 ( 1.173 1.957 -0.250) 2.296 5.830 ( -9.747 -3.463 -1.949) 10.526 6.119 ( 4.791 -0.620 1.527) 5.067 7.565 ( 1.752 -2.957 0.786) 3.526======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -1.140 3.230 -1.581) 3.772 2.130 ( 4.872 4.277 -9.457) 11.466 2.489 ( -1.641 -1.673 -0.855) 2.495 2.623 ( -2.219 -0.263 3.657) 4.286 2.706 ( -9.417 5.748 -0.232) 11.035 4.159 ( -2.765 -2.292 3.447) 4.978 5.278 ( -2.715 3.730 0.297) 4.624 5.592 ( 1.034 -2.617 -0.350) 2.835 5.692 ( -2.663 0.498 -0.201) 2.716 5.748 ( -0.031 3.506 -1.487) 3.808 6.196 ( 4.716 -1.095 0.944) 4.932 7.598 ( 4.830 -1.423 0.758) 5.092======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( -0.000 15.268 11.089) 18.870 1.374 ( -0.000 16.650 11.456) 20.210 1.828 ( 0.000 -0.406 -8.610) 8.620 2.036 ( -0.000 20.934 18.282) 27.793 2.154 ( 0.000 11.476 -11.275) 16.088 3.139 ( 0.000 -0.614 -6.873) 6.901 5.043 ( -0.000 2.848 0.480) 2.888 5.652 ( 0.000 -2.671 -0.140) 2.674 5.677 ( 0.000 -1.909 -0.852) 2.091 5.880 ( 0.000 11.466 -8.086) 14.031 7.164 ( -0.000 -10.694 8.778) 13.836 7.855 ( 0.000 1.299 -14.205) 14.264======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( -0.888 13.112 5.153) 14.117 1.569 ( -1.562 17.224 13.218) 21.767 1.857 ( 7.708 2.142 -9.140) 12.146 2.208 ( 1.341 7.201 -4.777) 8.745 2.400 ( 9.848 19.404 3.544) 22.047 3.164 ( 2.584 6.087 -2.038) 6.920 5.095 ( 2.035 3.674 0.583) 4.240 5.619 ( -0.821 -2.142 -0.286) 2.312 5.641 ( -1.179 -3.028 -0.947) 3.384 5.976 ( 3.816 3.140 -4.364) 6.593 7.055 ( -1.869 -14.826 9.585) 17.753 7.780 ( -5.055 2.071 -14.365) 15.368======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 0.181 10.104 1.148) 10.170 1.728 ( -2.087 15.135 8.960) 17.712 2.073 ( 13.081 8.155 -4.395) 16.029 2.293 ( 2.786 6.710 -4.720) 8.665 2.695 ( 7.832 8.168 -1.661) 11.438 3.354 ( 8.659 12.950 2.633) 15.799 5.182 ( 3.033 4.773 0.803) 5.712 5.577 ( -2.203 -3.109 -0.797) 3.893 5.590 ( -0.657 -0.994 -0.581) 1.326 6.016 ( 1.829 -2.188 -3.170) 4.264 6.867 ( -5.963 -16.384 7.288) 18.897 7.662 ( -5.502 1.199 -9.944) 11.428======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( 2.722 9.917 0.274) 10.288 1.848 ( -1.010 11.051 3.634) 11.677 2.350 ( 7.838 6.531 -0.125) 10.203 2.417 ( 5.762 12.086 -3.250) 13.778 2.827 ( 4.195 1.437 -2.216) 4.957 3.663 ( 11.101 11.752 2.355) 16.336 5.282 ( 2.139 5.713 1.102) 6.199 5.511 ( -1.640 -2.716 -0.616) 3.232 5.585 ( 0.631 0.806 -0.754) 1.271 5.993 ( 0.465 -3.194 -3.058) 4.446 6.588 ( -11.339 -13.656 2.651) 17.947 7.573 ( -2.204 -2.000 -3.396) 4.515======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 4.224 9.863 -0.632) 10.748 1.933 ( -0.950 8.683 0.875) 8.779 2.454 ( 3.138 1.678 -1.196) 3.754 2.650 ( 3.081 13.382 0.606) 13.745 2.878 ( 1.717 2.126 -1.814) 3.280 3.927 ( 8.917 6.127 1.730) 10.957 5.356 ( -0.707 5.972 1.102) 6.114 5.476 ( 0.284 -1.545 -0.421) 1.627 5.625 ( 2.863 1.637 -0.679) 3.367 5.971 ( 1.499 -2.372 -3.168) 4.232 6.274 ( -12.990 -8.382 0.948) 15.489 7.522 ( 0.399 -4.682 0.082) 4.700======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 3.202 8.666 -1.894) 9.431 1.996 ( -0.315 7.606 -1.230) 7.712 2.496 ( 1.228 0.414 -1.451) 1.945 2.714 ( -1.892 -1.716 2.346) 3.468 2.949 ( -3.332 14.714 -1.973) 15.215 4.090 ( 5.723 1.244 2.380) 6.322 5.382 ( -2.786 5.195 0.637) 5.929 5.490 ( 2.346 -0.160 -0.078) 2.353 5.695 ( 3.396 1.522 -0.644) 3.777 5.932 ( -4.990 -2.991 -4.408) 7.299 6.071 ( -2.446 -2.111 3.093) 4.473 7.494 ( 1.888 -5.264 0.664) 5.632======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( -2.514 6.221 -0.957) 6.778 2.086 ( 3.298 6.235 -5.367) 8.863 2.497 ( -0.719 -0.508 -1.154) 1.452 2.641 ( -2.105 -5.153 3.568) 6.612 2.983 ( -10.236 15.714 -1.332) 18.801 4.158 ( 1.664 -1.988 2.698) 3.742 5.374 ( -3.438 3.887 0.517) 5.215 5.534 ( 2.747 -0.965 0.085) 2.913 5.753 ( 1.871 2.282 -1.550) 3.333 5.794 ( -6.847 1.408 -1.306) 7.112 6.097 ( 4.558 -2.385 1.360) 5.321 7.496 ( 4.003 -4.339 0.380) 5.916======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( -0.000 11.221 2.181) 11.431 1.741 ( 0.000 12.597 -5.502) 13.746 1.797 ( -0.000 5.053 4.942) 7.068 2.244 ( 0.000 6.070 -5.540) 8.218 2.520 ( -0.000 17.786 2.231) 17.926 3.230 ( -0.000 12.590 1.662) 12.700 5.116 ( -0.000 4.081 0.592) 4.124 5.601 ( 0.000 -2.172 -0.291) 2.191 5.620 ( 0.000 -3.103 -0.941) 3.242 5.960 ( 0.000 1.099 -1.391) 1.773 6.939 ( -0.000 -17.434 7.967) 19.168 7.801 ( 0.000 1.796 -13.217) 13.338======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( -1.804 8.155 -3.575) 9.085 1.839 ( 5.149 2.357 -3.238) 6.523 1.987 ( 6.396 17.172 4.486) 18.865 2.298 ( 1.787 5.651 -4.359) 7.357 2.691 ( 2.763 9.606 0.735) 10.022 3.416 ( 3.157 17.744 3.478) 18.355 5.180 ( 2.586 4.403 0.668) 5.149 5.573 ( -1.337 -3.022 -0.838) 3.409 5.585 ( -0.099 -0.918 -0.493) 1.046 5.966 ( 0.930 -1.836 -0.174) 2.065 6.775 ( -1.465 -18.379 5.941) 19.371 7.734 ( -4.669 0.792 -10.228) 11.271======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 2.079 8.068 -2.904) 8.823 1.930 ( 2.626 4.309 -0.316) 5.056 2.302 ( 8.184 11.495 2.934) 14.413 2.405 ( 6.881 10.037 -3.389) 12.633 2.790 ( 1.847 3.068 0.176) 3.585 3.666 ( 5.193 15.924 2.161) 16.888 5.286 ( 4.050 5.016 0.871) 6.506 5.513 ( -1.936 -2.542 -0.729) 3.277 5.584 ( 0.157 0.865 -0.734) 1.146 5.951 ( 0.201 -2.811 -0.419) 2.849 6.575 ( -3.949 -16.667 3.116) 17.410 7.615 ( -5.759 -1.138 -5.671) 8.162======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 4.208 8.733 -1.162) 9.764 2.010 ( 1.361 5.279 0.265) 5.458 2.425 ( 2.512 2.818 0.263) 3.784 2.695 ( 5.870 10.470 0.546) 12.016 2.857 ( 5.504 6.501 -0.613) 8.540 3.882 ( 4.976 9.358 0.716) 10.623 5.400 ( 2.682 4.902 1.238) 5.723 5.466 ( -0.906 -1.133 -0.603) 1.571 5.603 ( 0.946 1.578 -0.986) 2.087 5.928 ( 0.381 -1.872 -1.038) 2.175 6.350 ( -6.734 -11.845 0.912) 13.656 7.501 ( -3.464 -3.515 -1.682) 5.214======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 3.989 8.391 -1.130) 9.359 2.078 ( -0.028 6.124 0.658) 6.159 2.477 ( 1.471 1.211 -0.439) 1.955 2.714 ( -1.835 -4.354 0.931) 4.816 3.120 ( 4.560 19.720 -0.844) 20.258 4.015 ( 4.428 1.867 0.867) 4.884 5.440 ( 0.078 0.538 0.127) 0.559 5.485 ( 0.030 3.691 0.509) 3.726 5.639 ( 2.832 -0.134 -0.834) 2.956 5.924 ( 0.642 -0.236 -1.609) 1.749 6.150 ( -6.876 -5.138 0.773) 8.619 7.426 ( -0.337 -4.926 0.077) 4.938======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( 2.037 7.079 -2.519) 7.784 2.127 ( -1.597 6.258 0.692) 6.496 2.496 ( 0.178 0.335 -0.820) 0.903 2.621 ( -2.024 -7.113 1.690) 7.586 3.303 ( -6.197 20.026 -0.964) 20.985 4.083 ( 4.475 -3.606 1.570) 5.958 5.449 ( -1.102 1.817 0.272) 2.143 5.501 ( -0.132 0.650 0.042) 0.665 5.689 ( 4.690 -1.918 -1.282) 5.227 5.916 ( -3.171 3.223 -0.558) 4.555 6.050 ( -1.567 -1.249 0.695) 2.121 7.395 ( 2.299 -4.824 0.216) 5.348======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 0.000 5.467 -7.805) 9.529 1.752 ( 0.000 2.219 -6.955) 7.301 2.116 ( -0.000 14.726 5.373) 15.675 2.325 ( 0.000 5.301 -1.664) 5.556 2.764 ( -0.000 7.074 2.712) 7.576 3.589 ( -0.000 19.833 3.089) 20.072 5.194 ( -0.000 3.178 0.464) 3.212 5.557 ( 0.000 -2.537 -0.933) 2.703 5.580 ( 0.000 0.489 -0.290) 0.568 5.946 ( -0.000 -1.964 2.134) 2.901 6.621 ( -0.000 -18.429 3.433) 18.746 7.747 ( 0.000 -0.370 -8.608) 8.616======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 0.921 5.445 -6.024) 8.172 1.844 ( 7.683 1.577 -5.341) 9.489 2.318 ( 5.674 13.073 3.596) 14.698 2.390 ( 2.731 5.826 -0.367) 6.444 2.819 ( -0.506 2.949 2.996) 4.234 3.789 ( 1.006 17.328 1.366) 17.411 5.254 ( 3.862 2.570 0.323) 4.650 5.520 ( -1.465 -1.649 -0.844) 2.362 5.594 ( 0.180 2.189 -0.290) 2.216 5.933 ( -0.306 -1.968 2.878) 3.500 6.451 ( -0.719 -16.681 1.019) 16.728 7.676 ( -4.379 -1.494 -5.847) 7.456======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( 4.908 6.866 -2.192) 8.720 1.970 ( 6.668 1.889 -2.592) 7.399 2.429 ( 1.043 3.398 1.360) 3.806 2.653 ( 11.728 11.431 0.058) 16.377 2.835 ( 1.194 1.396 2.695) 3.262 3.947 ( 0.420 11.873 -0.285) 11.883 5.365 ( 5.671 2.393 0.283) 6.162 5.479 ( -1.666 -0.379 -0.739) 1.861 5.621 ( -0.212 3.202 -0.297) 3.223 5.916 ( -0.549 -1.452 2.364) 2.828 6.288 ( -1.426 -13.241 -0.455) 13.325 7.552 ( -6.024 -2.274 -2.881) 7.054======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 5.283 7.062 -0.176) 8.821 2.085 ( 4.774 3.144 -0.797) 5.772 2.472 ( 0.829 1.686 0.621) 1.979 2.716 ( -2.919 -3.601 0.421) 4.655 3.112 ( 15.619 13.665 0.810) 20.769 4.023 ( -1.196 5.238 -0.738) 5.424 5.440 ( 0.386 0.314 0.087) 0.505 5.488 ( 2.985 1.871 -0.120) 3.525 5.636 ( -1.513 2.261 -0.241) 2.732 5.913 ( 0.679 0.170 0.802) 1.064 6.155 ( -1.580 -8.154 -0.345) 8.313 7.430 ( -4.652 -2.709 -0.797) 5.442======================= 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 4.65e-08 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 3.470 6.010 -0.000) 6.940 2.184 ( 2.620 4.537 -0.000) 5.239 2.495 ( 0.421 0.730 -0.000) 0.842 2.601 ( -4.044 -7.005 -0.000) 8.088 3.480 ( 9.298 16.105 -0.000) 18.596 4.006 ( -1.665 -2.884 -0.000) 3.330 5.454 ( 0.711 1.231 -0.000) 1.422 5.541 ( 0.874 1.513 -0.000) 1.747 5.607 ( -1.205 -2.087 -0.000) 2.410 5.947 ( 1.330 2.304 -0.000) 2.661 6.080 ( -1.444 -2.502 -0.000) 2.889 7.349 ( -1.596 -2.764 -0.000) 3.192======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( 0.000 4.159 -7.101) 8.230 1.767 ( 0.000 2.594 -3.050) 4.004 2.392 ( -0.000 11.106 2.085) 11.300 2.420 ( -0.000 3.933 1.564) 4.232 2.856 ( -0.000 0.585 3.629) 3.676 3.944 ( -0.000 14.781 -0.143) 14.781 5.233 ( -0.000 0.813 0.120) 0.822 5.520 ( 0.000 -0.474 -0.757) 0.893 5.619 ( -0.000 3.344 -0.105) 3.346 5.932 ( -0.000 -2.031 5.287) 5.664 6.306 ( 0.000 -13.433 -2.064) 13.591 7.680 ( 0.000 -2.176 -4.541) 5.035======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 3.685 6.103 -1.818) 7.357 1.852 ( 6.934 1.914 -1.995) 7.465 2.457 ( 0.089 2.734 1.852) 3.303 2.568 ( 8.768 8.753 0.437) 12.397 2.848 ( -1.111 -1.903 3.011) 3.731 4.060 ( -0.566 10.438 -1.537) 10.566 5.283 ( 4.970 0.550 -0.093) 5.001 5.506 ( -1.482 0.800 -0.614) 1.793 5.655 ( 0.212 3.644 0.042) 3.651 5.918 ( -0.399 -3.982 5.912) 7.139 6.186 ( -0.808 -7.941 -3.886) 8.878 7.611 ( -3.981 -2.141 -2.706) 5.268======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 5.803 6.426 1.150) 8.735 1.994 ( 7.628 1.992 -0.524) 7.902 2.483 ( 0.136 1.286 1.387) 1.896 2.729 ( -1.078 -2.037 -0.965) 2.498 2.929 ( 15.178 5.051 2.197) 16.147 4.111 ( -2.212 5.989 -2.063) 6.709 5.386 ( 5.851 0.119 -0.234) 5.857 5.492 ( -1.277 1.990 -0.503) 2.417 5.690 ( -0.598 3.459 0.431) 3.536 5.892 ( 1.185 -4.790 4.031) 6.372 6.100 ( -1.640 -3.560 -2.955) 4.909 7.502 ( -5.863 -1.330 -1.123) 6.116======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -0.000 7.398 1.895) 7.637 1.810 ( -0.000 2.596 0.233) 2.606 2.483 ( -0.000 1.374 1.991) 2.419 2.560 ( -0.000 5.476 -0.107) 5.477 2.837 ( -0.000 -4.084 1.662) 4.409 4.144 ( 0.000 7.054 -2.640) 7.532 5.238 ( 0.000 -0.077 -0.040) 0.087 5.533 ( 0.000 2.201 -0.270) 2.218 5.684 ( -0.000 2.826 -0.057) 2.826 5.873 ( -0.000 -9.000 5.273) 10.431 6.151 ( 0.000 0.574 -4.163) 4.202 7.619 ( 0.000 -1.667 -1.832) 2.477======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 4.156 2.927 1.124) 5.206 1.925 ( 4.867 7.405 5.312) 10.331 2.496 ( -0.088 0.257 1.769) 1.790 2.669 ( 6.957 1.637 -1.627) 7.330 2.793 ( 1.718 -4.481 0.890) 4.881 4.178 ( -0.996 3.528 -3.105) 4.804 5.285 ( 5.229 -0.098 -0.235) 5.235 5.543 ( -1.796 3.119 -0.088) 3.601 5.713 ( 0.801 1.852 0.276) 2.037 5.806 ( 1.523 -8.656 2.936) 9.266 6.139 ( -2.857 2.939 -2.438) 4.769 7.573 ( -3.581 -0.265 -0.946) 3.713======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( -0.000 1.936 1.963) 2.757 1.999 ( -0.000 9.751 9.849) 13.860 2.500 ( -0.000 -0.606 1.777) 1.878 2.598 ( 0.000 -1.118 -1.218) 1.654 2.731 ( 0.000 -6.224 -2.143) 6.582 4.193 ( 0.000 0.108 -3.652) 3.654 5.236 ( 0.000 -0.075 -0.061) 0.097 5.601 ( -0.000 4.160 0.800) 4.237 5.712 ( 0.000 0.014 -0.084) 0.085 5.717 ( -0.000 -7.082 0.965) 7.147 6.194 ( 0.000 3.670 -1.374) 3.919 7.607 ( 0.000 1.556 -0.757) 1.730======================= 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 4.65e-08 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( -0.000 0.000 19.423) 19.423 0.840 ( -0.000 0.000 19.423) 19.423 1.431 ( -0.000 0.000 34.714) 34.714 1.908 ( 0.000 -0.000 -8.007) 8.007 1.908 ( 0.000 -0.000 -8.007) 8.007 3.444 ( 0.000 -0.000 -19.537) 19.537 4.997 ( -0.000 0.000 0.337) 0.337 4.997 ( -0.000 0.000 0.337) 0.337 5.710 ( 0.000 -0.000 -0.028) 0.028 5.710 ( 0.000 -0.000 -0.028) 0.028 7.258 ( -0.000 0.000 4.171) 4.171 7.927 ( 0.000 -0.000 -1.607) 1.607======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( 3.501 2.021 17.757) 18.211 1.081 ( 7.381 4.261 21.238) 22.884 1.674 ( 12.616 7.284 15.973) 21.619 1.916 ( 5.727 3.307 -1.940) 6.892 1.942 ( 3.192 1.843 -7.590) 8.438 3.230 ( -7.279 -4.202 -12.663) 15.199 5.018 ( 1.460 0.843 0.187) 1.696 5.468 ( 28.909 16.690 -12.136) 35.518 5.688 ( -1.708 -0.986 0.045) 1.973 5.711 ( -0.285 -0.165 -0.550) 0.641 7.275 ( -0.105 -0.061 4.945) 4.947 7.858 ( -5.308 -3.064 -5.531) 8.255======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 9.240 5.335 13.245) 17.008 1.240 ( 1.557 0.899 19.783) 19.864 1.947 ( 11.991 6.923 -12.853) 18.892 2.004 ( 4.488 2.591 -6.899) 8.629 2.239 ( 18.630 10.756 13.429) 25.360 3.134 ( 1.647 0.951 -8.079) 8.300 5.064 ( 2.620 1.513 0.015) 3.025 5.640 ( -2.461 -1.421 0.128) 2.844 5.683 ( -2.068 -1.194 -0.992) 2.586 5.921 ( 14.006 8.086 -9.450) 18.731 7.261 ( -4.493 -2.594 10.612) 11.812 7.682 ( -6.358 -3.671 -13.367) 15.250======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 3.030 1.749 10.624) 11.185 1.344 ( 10.435 6.025 8.632) 14.822 2.102 ( 6.218 3.590 -5.543) 9.070 2.172 ( 10.401 6.005 -5.921) 13.390 2.649 ( 13.820 7.979 1.077) 15.994 3.267 ( 11.785 6.804 -0.768) 13.630 5.132 ( 3.330 1.922 -0.015) 3.845 5.590 ( -1.802 -1.040 0.119) 2.084 5.617 ( -3.220 -1.859 -0.967) 3.841 6.066 ( 2.455 1.417 -5.810) 6.465 7.067 ( -15.732 -9.083 7.755) 19.752 7.580 ( 0.776 0.448 -9.029) 9.074======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 6.494 3.749 4.159) 8.575 1.575 ( 8.111 4.683 4.282) 10.298 2.248 ( 7.952 4.591 -3.208) 9.726 2.353 ( 6.868 3.965 -2.773) 8.401 2.851 ( 5.513 3.183 -2.612) 6.880 3.601 ( 15.829 9.139 2.188) 18.409 5.200 ( 2.414 1.394 0.104) 2.790 5.548 ( -2.428 -1.402 -0.487) 2.845 5.574 ( 0.637 0.368 0.011) 0.736 6.053 ( -1.005 -0.580 -4.450) 4.598 6.675 ( -19.118 -11.038 1.075) 22.101 7.601 ( 1.376 0.794 -0.553) 1.682======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 8.484 4.898 -0.713) 9.822 1.729 ( 5.080 2.933 0.831) 5.925 2.421 ( 7.582 4.377 -0.827) 8.793 2.460 ( 3.603 2.080 -2.431) 4.818 2.903 ( -0.126 -0.073 -1.321) 1.329 3.919 ( 11.337 6.546 2.362) 13.303 5.233 ( 0.606 0.350 0.155) 0.717 5.516 ( -0.313 -0.181 -0.267) 0.449 5.618 ( 2.939 1.697 -0.019) 3.393 6.033 ( 0.711 0.410 -4.286) 4.364 6.271 ( -16.368 -9.450 1.035) 18.929 7.616 ( -0.362 -0.209 1.762) 1.811======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 3.025 1.747 -1.123) 3.669 1.822 ( 9.190 5.306 -5.522) 11.962 2.503 ( 1.041 0.601 -2.283) 2.580 2.557 ( 4.213 2.432 0.610) 4.903 2.845 ( -4.453 -2.571 -0.104) 5.143 4.116 ( 5.653 3.264 3.236) 7.286 5.237 ( -0.059 -0.034 0.092) 0.114 5.534 ( 2.036 1.176 -0.335) 2.375 5.683 ( 2.428 1.402 0.050) 2.804 5.919 ( -10.453 -6.035 -4.182) 12.774 6.115 ( 2.304 1.330 3.159) 4.130 7.603 ( -0.857 -0.495 1.396) 1.711======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( -0.000 10.032 18.117) 20.709 1.131 ( -0.000 12.143 14.007) 18.538 1.743 ( -0.000 11.575 21.800) 24.683 1.818 ( 0.000 -1.356 -8.427) 8.535 1.965 ( 0.000 7.652 -4.934) 9.104 3.188 ( 0.000 -7.637 -13.626) 15.620 5.007 ( -0.000 1.135 0.446) 1.220 5.426 ( 0.000 30.186 -9.519) 31.652 5.695 ( 0.000 -1.642 -0.109) 1.645 5.704 ( 0.000 -0.558 -0.332) 0.649 7.286 ( -0.000 -0.596 4.721) 4.759 7.858 ( 0.000 -4.664 -5.491) 7.205======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -0.324 12.626 13.043) 18.156 1.348 ( 1.668 9.763 18.457) 20.947 1.784 ( 4.774 3.104 -10.640) 12.068 1.989 ( 3.901 10.048 -9.988) 14.695 2.131 ( 11.414 11.417 15.384) 22.300 3.095 ( 0.190 -0.428 -9.494) 9.505 5.042 ( 1.932 1.910 0.278) 2.730 5.659 ( -1.441 -1.749 -0.218) 2.277 5.687 ( -0.555 -1.811 -0.629) 1.996 5.774 ( 11.342 16.318 -8.103) 21.461 7.285 ( -0.258 -4.434 8.325) 9.435 7.732 ( -6.363 -3.468 -11.065) 13.227======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 2.969 8.645 7.772) 11.998 1.466 ( -3.388 12.482 14.946) 19.765 1.951 ( 12.215 3.421 -7.364) 14.668 2.111 ( 4.450 9.856 -8.495) 13.752 2.509 ( 13.600 10.405 4.677) 17.751 3.164 ( 7.402 6.910 -3.000) 10.561 5.106 ( 2.759 3.082 0.133) 4.139 5.611 ( -1.940 -1.569 0.027) 2.495 5.637 ( -2.140 -2.744 -0.876) 3.589 5.996 ( 5.715 3.582 -5.153) 8.488 7.188 ( -7.409 -12.865 10.359) 18.103 7.582 ( -3.739 2.485 -12.285) 13.080======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 2.888 6.320 4.768) 8.427 1.617 ( 0.212 13.672 8.571) 16.138 2.163 ( 9.261 7.580 -4.703) 12.858 2.271 ( 6.616 6.224 -3.472) 9.724 2.762 ( 7.942 4.477 -2.363) 9.418 3.446 ( 14.287 11.008 1.273) 18.081 5.188 ( 2.497 4.028 0.197) 4.744 5.564 ( -2.140 -2.591 -0.306) 3.374 5.580 ( -0.959 -0.483 -0.220) 1.097 6.031 ( 0.506 -1.551 -4.202) 4.508 6.864 ( -16.060 -13.659 2.175) 21.195 7.574 ( 1.540 0.926 -2.022) 2.705======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( 4.529 7.571 2.476) 9.163 1.754 ( 0.229 9.822 3.508) 10.432 2.379 ( 6.405 11.179 -2.396) 13.104 2.406 ( 5.011 3.203 -1.858) 6.231 2.871 ( 3.314 0.484 -2.230) 4.023 3.788 ( 13.262 8.612 1.496) 15.883 5.254 ( 0.207 4.297 0.330) 4.314 5.512 ( -0.791 -2.045 -0.083) 2.194 5.593 ( 1.890 1.416 -0.149) 2.366 6.002 ( 0.399 -1.782 -3.954) 4.355 6.462 ( -17.075 -10.629 0.069) 20.113 7.596 ( 1.491 -2.374 1.928) 3.402======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 5.188 7.657 -0.760) 9.280 1.841 ( -0.281 7.531 0.262) 7.540 2.476 ( 2.336 1.206 -2.131) 3.384 2.571 ( 2.697 11.167 0.002) 11.488 2.870 ( -1.498 -1.954 -1.712) 2.999 4.041 ( 8.617 4.456 2.324) 9.975 5.281 ( -1.950 4.442 0.302) 4.860 5.503 ( 1.477 -0.906 0.051) 1.733 5.656 ( 3.033 2.140 -0.142) 3.715 5.977 ( -2.067 -2.703 -6.494) 7.332 6.148 ( -8.499 -4.887 4.264) 10.691 7.589 ( 0.674 -3.808 1.942) 4.328======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -0.000 10.821 12.949) 16.876 1.455 ( -0.000 14.371 4.281) 14.995 1.764 ( 0.000 0.529 -3.678) 3.716 2.026 ( 0.000 13.254 -14.354) 19.537 2.207 ( -0.000 14.342 16.149) 21.598 3.073 ( 0.000 3.190 -6.822) 7.531 5.048 ( -0.000 2.877 0.590) 2.937 5.650 ( 0.000 -2.709 -0.249) 2.720 5.670 ( 0.000 -2.010 -0.621) 2.104 5.821 ( 0.000 14.208 -4.498) 14.903 7.250 ( -0.000 -9.423 9.375) 13.293 7.725 ( 0.000 -1.056 -13.362) 13.403======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( -1.936 8.645 3.759) 9.623 1.684 ( 3.699 15.208 9.384) 18.249 1.780 ( 4.785 2.633 -5.330) 7.632 2.122 ( 2.442 10.488 -10.911) 15.330 2.462 ( 7.196 13.489 7.390) 16.981 3.146 ( 3.345 10.141 -1.710) 10.815 5.100 ( 1.989 3.785 0.507) 4.306 5.616 ( -0.808 -2.244 -0.294) 2.403 5.634 ( -1.212 -3.089 -0.630) 3.377 5.946 ( 3.364 4.958 -1.962) 6.305 7.148 ( -1.712 -16.208 9.978) 19.110 7.647 ( -4.385 3.202 -13.519) 14.569======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 1.184 7.413 0.561) 7.528 1.809 ( -2.551 10.493 7.395) 13.088 2.037 ( 13.875 11.570 -3.038) 18.320 2.242 ( 3.916 8.023 -5.064) 10.264 2.688 ( 6.047 7.063 -0.068) 9.298 3.373 ( 8.844 14.333 1.311) 16.893 5.187 ( 3.045 5.011 0.424) 5.879 5.571 ( -2.114 -3.287 -0.415) 3.930 5.586 ( -0.669 -1.035 -0.332) 1.276 5.993 ( 0.969 -1.220 -1.720) 2.320 6.926 ( -7.743 -17.779 4.805) 19.978 7.584 ( -2.583 2.396 -6.276) 7.197======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 3.431 8.420 1.094) 9.158 1.885 ( -1.472 8.536 3.916) 9.506 2.353 ( 5.875 5.790 0.607) 8.271 2.382 ( 8.135 15.361 -3.804) 17.793 2.809 ( 3.846 2.019 -1.549) 4.612 3.679 ( 10.931 11.673 0.883) 16.016 5.290 ( 2.172 6.033 0.494) 6.431 5.507 ( -1.535 -2.806 -0.112) 3.200 5.580 ( 0.670 0.537 -0.324) 0.918 5.968 ( -0.201 -2.502 -2.161) 3.312 6.603 ( -12.606 -13.705 0.486) 18.627 7.556 ( -0.000 -2.300 -0.056) 2.300======================= 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 4.65e-08 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 3.759 8.909 0.692) 9.694 1.948 ( -1.678 7.832 2.089) 8.278 2.442 ( 2.706 2.165 -1.366) 3.725 2.653 ( 3.703 14.916 0.104) 15.370 2.859 ( 1.441 1.791 -2.319) 3.265 3.941 ( 9.400 6.036 1.096) 11.225 5.364 ( -0.851 6.179 0.487) 6.256 5.474 ( 0.377 -1.636 0.170) 1.688 5.621 ( 2.989 1.429 -0.273) 3.325 5.942 ( 0.504 -1.864 -2.990) 3.559 6.282 ( -12.211 -8.139 0.723) 14.693 7.531 ( 0.999 -5.323 1.657) 5.664======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 0.000 5.723 -0.533) 5.747 1.645 ( 0.000 6.802 -11.347) 13.229 1.882 ( -0.000 10.457 9.563) 14.170 2.171 ( 0.000 10.079 -7.940) 12.831 2.567 ( -0.000 13.593 6.147) 14.918 3.242 ( -0.000 15.592 1.063) 15.628 5.121 ( -0.000 4.056 0.605) 4.101 5.598 ( 0.000 -2.187 -0.351) 2.215 5.612 ( 0.000 -3.206 -0.642) 3.270 5.959 ( -0.000 2.362 0.962) 2.551 7.016 ( -0.000 -19.436 8.022) 21.026 7.679 ( 0.000 3.689 -12.317) 12.858======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( -0.572 5.868 -4.864) 7.643 1.783 ( 9.613 2.787 -7.709) 12.633 2.048 ( 3.560 15.263 7.181) 17.240 2.260 ( 1.765 8.224 -2.996) 8.929 2.710 ( 1.506 8.943 2.788) 9.488 3.441 ( 2.973 18.281 1.869) 18.615 5.186 ( 2.610 4.376 0.439) 5.114 5.566 ( -1.315 -3.127 -0.574) 3.440 5.581 ( -0.110 -0.918 -0.327) 0.981 5.973 ( 0.084 -0.973 1.629) 1.899 6.828 ( -1.788 -20.450 4.990) 21.125 7.645 ( -3.488 2.587 -8.325) 9.390======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 3.783 7.424 -2.188) 8.615 1.917 ( 5.335 2.750 -2.512) 6.506 2.335 ( 6.122 9.904 3.893) 12.277 2.376 ( 7.331 13.093 -2.332) 15.186 2.797 ( 0.790 3.909 1.083) 4.132 3.680 ( 4.838 15.452 0.669) 16.206 5.291 ( 4.198 5.015 0.183) 6.543 5.508 ( -1.810 -2.650 -0.333) 3.226 5.580 ( 0.053 0.807 -0.217) 0.838 5.953 ( -0.942 -1.988 0.936) 2.391 6.598 ( -4.688 -17.767 1.632) 18.448 7.572 ( -3.892 -0.538 -3.256) 5.103======================= 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 4.65e-08 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( 4.825 8.357 -0.000) 9.649 2.011 ( 2.505 4.338 0.000) 5.009 2.426 ( 1.827 3.165 -0.000) 3.655 2.698 ( 6.381 11.052 -0.000) 12.762 2.854 ( 4.122 7.140 -0.000) 8.244 3.885 ( 5.178 8.968 -0.000) 10.355 5.406 ( 2.883 4.993 -0.000) 5.765 5.463 ( -0.764 -1.323 -0.000) 1.528 5.598 ( 0.860 1.489 -0.000) 1.719 5.923 ( -0.681 -1.179 -0.000) 1.361 6.354 ( -6.937 -12.015 -0.000) 13.874 7.493 ( -2.207 -3.822 -0.000) 4.413======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 0.000 4.076 -8.519) 9.444 1.685 ( 0.000 4.557 -6.943) 8.304 2.167 ( -0.000 12.651 5.194) 13.676 2.318 ( -0.000 7.229 0.242) 7.233 2.794 ( -0.000 7.067 3.379) 7.833 3.610 ( -0.000 19.232 1.346) 19.279 5.198 ( -0.000 3.048 0.331) 3.066 5.549 ( 0.000 -2.596 -0.598) 2.664 5.577 ( 0.000 0.564 -0.244) 0.614 5.973 ( -0.000 -1.208 3.555) 3.755 6.652 ( -0.000 -20.770 2.932) 20.976 7.672 ( 0.000 1.422 -7.136) 7.276======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 2.791 6.247 -4.679) 8.289 1.795 ( 8.314 2.969 -4.937) 10.115 2.352 ( 5.960 11.974 3.354) 13.789 2.392 ( 1.554 6.312 0.872) 6.559 2.847 ( -0.974 3.317 2.751) 4.418 3.796 ( 0.863 16.377 -0.075) 16.400 5.256 ( 3.824 2.434 -0.014) 4.533 5.514 ( -1.415 -1.689 -0.439) 2.247 5.592 ( 0.157 2.286 -0.060) 2.292 5.965 ( -1.116 -1.012 3.757) 4.048 6.459 ( -0.574 -18.845 0.630) 18.864 7.627 ( -3.637 -0.250 -4.381) 5.700======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 0.000 6.765 -3.461) 7.599 1.742 ( 0.000 4.245 -2.091) 4.732 2.409 ( -0.000 9.903 1.550) 10.024 2.438 ( -0.000 4.140 2.256) 4.715 2.885 ( -0.000 0.428 2.535) 2.571 3.936 ( 0.000 13.751 -1.350) 13.817 5.234 ( -0.000 0.732 -0.020) 0.733 5.516 ( 0.000 -0.426 -0.258) 0.498 5.618 ( -0.000 3.386 -0.048) 3.386 5.985 ( -0.000 -0.537 5.589) 5.615 6.287 ( 0.000 -16.322 -2.011) 16.446 7.641 ( 0.000 -0.954 -3.502) 3.629======================= 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 4.65e-08 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -0.000 0.000 16.227) 16.227 1.010 ( -0.000 0.000 16.227) 16.227 1.741 ( -0.000 0.000 30.402) 30.402 1.829 ( 0.000 -0.000 -8.506) 8.506 1.829 ( 0.000 -0.000 -8.506) 8.506 3.253 ( 0.000 -0.000 -20.503) 20.503 5.000 ( -0.000 0.000 0.271) 0.271 5.000 ( -0.000 0.000 0.271) 0.271 5.710 ( 0.000 -0.000 -0.023) 0.023 5.710 ( 0.000 -0.000 -0.023) 0.023 7.294 ( -0.000 0.000 3.415) 3.415 7.912 ( 0.000 -0.000 -1.416) 1.416======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( 2.643 1.526 16.116) 16.403 1.265 ( 10.943 6.318 17.100) 21.262 1.705 ( -1.260 -0.728 -6.110) 6.281 1.865 ( 3.459 1.997 -8.561) 9.447 2.001 ( 11.418 6.592 16.674) 21.256 3.100 ( -4.417 -2.550 -14.172) 15.062 5.019 ( 1.384 0.799 -0.018) 1.598 5.381 ( 26.067 15.050 -6.586) 30.812 5.689 ( -1.665 -0.961 0.123) 1.926 5.707 ( -0.587 -0.339 -0.403) 0.788 7.317 ( 1.079 0.623 3.746) 3.948 7.816 ( -7.928 -4.577 -3.518) 9.807======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( 7.506 4.334 13.815) 16.309 1.422 ( -2.149 -1.241 17.945) 18.115 1.828 ( 14.626 8.444 -11.504) 20.434 1.931 ( 5.021 2.899 -8.343) 10.160 2.345 ( 14.637 8.451 8.495) 18.916 3.059 ( 4.373 2.525 -7.213) 8.805 5.063 ( 2.599 1.501 -0.256) 3.012 5.642 ( -2.449 -1.414 0.249) 2.839 5.674 ( -2.132 -1.231 -0.872) 2.612 5.846 ( 15.092 8.713 -6.204) 18.498 7.361 ( -0.781 -0.451 10.432) 10.471 7.565 ( -10.238 -5.911 -11.164) 16.260======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 0.367 0.212 10.338) 10.347 1.434 ( 8.372 4.833 10.372) 14.179 2.042 ( 7.274 4.200 -7.160) 11.037 2.125 ( 12.252 7.074 -3.437) 14.559 2.648 ( 10.837 6.257 -1.479) 12.600 3.259 ( 14.081 8.130 -0.855) 16.282 5.131 ( 3.400 1.963 -0.290) 3.937 5.592 ( -1.851 -1.069 0.260) 2.153 5.610 ( -3.083 -1.780 -0.483) 3.592 6.016 ( 2.892 1.670 -4.788) 5.837 7.111 ( -18.854 -10.885 0.901) 21.790 7.534 ( 4.441 2.564 -0.117) 5.129======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 4.246 2.452 7.249) 8.752 1.624 ( 6.047 3.491 5.938) 9.166 2.212 ( 9.347 5.396 -4.363) 11.641 2.329 ( 7.019 4.052 -2.025) 8.354 2.825 ( 5.807 3.353 -3.035) 7.360 3.614 ( 16.213 9.361 0.448) 18.727 5.200 ( 2.518 1.454 -0.128) 2.910 5.546 ( -2.325 -1.342 0.052) 2.685 5.575 ( 0.565 0.326 0.144) 0.668 6.011 ( -0.781 -0.451 -4.343) 4.436 6.673 ( -19.275 -11.128 -1.413) 22.301 7.618 ( 1.980 1.143 3.958) 4.570======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( -0.000 9.946 17.032) 19.723 1.237 ( -0.000 9.715 7.515) 12.282 1.749 ( 0.000 -0.574 -5.226) 5.257 1.802 ( 0.000 3.992 -7.606) 8.590 2.033 ( -0.000 9.492 16.978) 19.451 3.056 ( 0.000 -4.118 -13.329) 13.950 5.011 ( -0.000 1.215 0.455) 1.298 5.360 ( 0.000 28.019 -4.738) 28.417 5.694 ( 0.000 -1.692 -0.165) 1.700 5.702 ( 0.000 -0.817 -0.114) 0.825 7.325 ( -0.000 0.892 3.310) 3.428 7.815 ( 0.000 -8.172 -3.530) 8.902======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( -0.718 9.594 10.969) 14.590 1.510 ( 7.354 7.239 15.012) 18.217 1.685 ( 0.161 4.865 -9.420) 10.603 1.884 ( 4.329 7.291 -11.127) 13.990 2.261 ( 8.831 10.314 10.798) 17.348 3.012 ( 1.538 2.455 -7.359) 7.909 5.044 ( 1.670 2.094 0.150) 2.683 5.656 ( -0.526 -0.750 -0.429) 1.012 5.682 ( -0.857 -1.929 -0.402) 2.149 5.719 ( 10.454 16.686 -3.664) 20.028 7.359 ( 1.803 -0.543 6.805) 7.061 7.640 ( -8.187 -8.678 -8.041) 14.387======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 2.856 4.458 6.753) 8.581 1.594 ( -4.451 11.546 11.533) 16.915 1.887 ( 13.014 3.870 -6.185) 14.920 2.038 ( 7.227 11.005 -5.735) 14.361 2.536 ( 9.773 8.369 0.686) 12.885 3.141 ( 9.061 9.245 -1.622) 13.047 5.106 ( 2.616 3.324 -0.127) 4.231 5.612 ( -1.819 -1.705 0.150) 2.498 5.631 ( -2.146 -2.688 -0.400) 3.462 5.957 ( 5.239 4.689 -3.058) 7.667 7.263 ( -12.248 -15.027 3.678) 19.732 7.497 ( 2.079 4.253 -3.677) 5.994======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 3.629 3.873 5.273) 7.482 1.702 ( -1.886 11.938 9.161) 15.165 2.112 ( 10.044 8.973 -6.217) 14.834 2.249 ( 7.434 6.325 -0.807) 9.794 2.738 ( 7.259 4.687 -2.788) 9.080 3.451 ( 14.536 11.546 -0.271) 18.566 5.188 ( 2.477 4.298 -0.138) 4.962 5.563 ( -2.144 -2.684 0.151) 3.438 5.579 ( -0.796 -0.513 0.078) 0.951 5.996 ( 0.022 -0.921 -3.155) 3.287 6.864 ( -17.362 -13.117 -2.178) 21.869 7.584 ( 3.700 0.095 4.038) 5.477======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 0.000 9.961 -7.485) 12.459 1.460 ( -0.000 5.021 12.256) 13.244 1.776 ( -0.000 4.127 5.789) 7.110 1.883 ( 0.000 13.746 -15.374) 20.623 2.335 ( -0.000 12.444 10.216) 16.101 3.020 ( 0.000 6.651 -3.883) 7.702 5.054 ( -0.000 2.918 0.588) 2.976 5.648 ( 0.000 -2.753 -0.313) 2.771 5.666 ( 0.000 -2.066 -0.173) 2.073 5.796 ( -0.000 15.985 -0.835) 16.007 7.340 ( -0.000 -6.631 9.679) 11.732 7.604 ( 0.000 -5.021 -12.175) 13.170======================= 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 4.65e-08 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -1.145 4.781 -1.564) 5.159 1.678 ( 13.279 5.143 -6.656) 15.719 1.819 ( -3.646 10.640 8.688) 14.212 2.035 ( 4.513 13.106 -5.748) 15.006 2.520 ( 4.183 11.294 4.201) 12.755 3.135 ( 3.786 12.651 -0.368) 13.211 5.104 ( 1.820 3.875 0.349) 4.296 5.614 ( -0.714 -2.343 -0.238) 2.461 5.630 ( -1.229 -3.151 -0.160) 3.386 5.940 ( 2.523 6.240 0.606) 6.757 7.236 ( -2.934 -18.681 7.871) 20.483 7.533 ( -2.247 5.125 -9.749) 11.240======================= 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 4.65e-08 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 3.110 5.386 -0.000) 6.220 1.848 ( 2.426 4.201 -0.000) 4.851 2.021 ( 9.734 16.859 -0.000) 19.467 2.215 ( 4.919 8.521 -0.000) 9.839 2.689 ( 4.216 7.302 -0.000) 8.431 3.379 ( 8.642 14.968 -0.000) 17.284 5.189 ( 2.968 5.140 -0.000) 5.936 5.569 ( -1.963 -3.400 -0.000) 3.926 5.584 ( -0.629 -1.089 -0.000) 1.258 5.984 ( -0.217 -0.376 -0.000) 0.434 6.951 ( -10.172 -17.619 -0.000) 20.344 7.553 ( 0.996 1.724 -0.000) 1.991======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 0.000 1.047 -5.964) 6.055 1.537 ( 0.000 7.777 -11.283) 13.703 1.968 ( -0.000 9.611 8.555) 12.867 2.118 ( 0.000 13.737 -2.522) 13.966 2.619 ( -0.000 11.642 4.550) 12.500 3.251 ( -0.000 16.967 0.811) 16.986 5.127 ( -0.000 4.002 0.500) 4.033 5.595 ( 0.000 -2.175 -0.343) 2.202 5.609 ( 0.000 -3.374 -0.124) 3.376 5.978 ( -0.000 3.152 3.105) 4.425 7.084 ( -0.000 -21.614 5.825) 22.385 7.577 ( 0.000 5.491 -8.550) 10.161======================= 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 4.65e-08 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -0.000 0.000 10.333) 10.333 1.139 ( -0.000 0.000 10.333) 10.333 1.755 ( 0.000 -0.000 -6.439) 6.439 1.755 ( 0.000 -0.000 -6.439) 6.439 1.989 ( -0.000 0.000 20.743) 20.743 3.074 ( 0.000 -0.000 -15.862) 15.862 5.002 ( -0.000 0.000 0.151) 0.151 5.002 ( -0.000 0.000 0.151) 0.151 5.710 ( 0.000 -0.000 -0.013) 0.013 5.710 ( 0.000 -0.000 -0.013) 0.013 7.320 ( -0.000 0.000 1.934) 1.934 7.901 ( 0.000 -0.000 -0.846) 0.846======================= 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 4.65e-08 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 3.117 1.800 12.084) 12.608 1.377 ( 15.320 8.845 4.065) 18.151 1.653 ( -5.788 -3.342 -1.178) 6.787 1.786 ( 3.110 1.795 -7.636) 8.438 2.142 ( 8.331 4.810 10.327) 14.113 2.984 ( -1.859 -1.073 -8.786) 9.044 5.018 ( 1.275 0.736 -0.219) 1.488 5.340 ( 24.097 13.912 -2.447) 27.932 5.691 ( -1.601 -0.924 0.174) 1.856 5.703 ( -0.739 -0.427 -0.269) 0.895 7.343 ( 1.830 1.057 1.627) 2.667 7.793 ( -9.260 -5.346 -1.288) 10.769======================= 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 4.65e-08 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 6.982 4.031 12.588) 14.948 1.532 ( -3.948 -2.279 1.163) 4.704 1.773 ( 17.394 10.043 3.779) 20.438 1.849 ( 5.062 2.923 -8.777) 10.546 2.387 ( 11.338 6.546 -0.355) 13.097 3.011 ( 6.438 3.717 -2.337) 7.793 5.059 ( 2.565 1.481 -0.471) 3.000 5.645 ( -2.421 -1.398 0.314) 2.814 5.667 ( -1.954 -1.128 -0.433) 2.297 5.804 ( 14.837 8.566 -2.698) 17.343 7.420 ( 3.154 1.821 -3.878) 5.320 7.508 ( -13.945 -8.051 4.849) 16.816======================= 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 4.65e-08 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 0.000 6.199 -3.490) 7.114 1.326 ( -0.000 13.141 12.457) 18.107 1.707 ( 0.000 -0.955 -10.237) 10.281 1.734 ( -0.000 1.728 2.383) 2.943 2.160 ( -0.000 7.854 6.969) 10.500 2.962 ( 0.000 -1.574 -4.761) 5.014 5.015 ( -0.000 1.335 0.374) 1.387 5.333 ( -0.000 27.122 -1.046) 27.142 5.692 ( 0.000 -1.766 -0.189) 1.776 5.702 ( -0.000 -0.905 0.092) 0.910 7.346 ( -0.000 1.986 1.018) 2.232 7.792 ( 0.000 -10.351 -1.230) 10.424======================= 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 4.65e-08 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 3.302 5.720 -0.000) 6.605 1.593 ( 7.564 13.100 -0.000) 15.127 1.637 ( -0.018 -0.032 0.000) 0.037 1.814 ( 3.824 6.623 0.000) 7.647 2.315 ( 5.827 10.093 -0.000) 11.654 2.974 ( 2.279 3.948 -0.000) 4.558 5.045 ( 1.329 2.302 -0.000) 2.658 5.653 ( 0.474 0.822 -0.000) 0.949 5.680 ( -1.083 -1.876 -0.000) 2.166 5.702 ( 9.057 15.687 -0.000) 18.114 7.397 ( 2.350 4.071 -0.000) 4.700 7.596 ( -8.128 -14.078 0.000) 16.256======================= 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 4.65e-08 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( -0.000 0.000 0.000) 0.000 1.190 ( -0.000 0.000 0.000) 0.000 1.722 ( -0.000 0.000 0.000) 0.000 1.722 ( -0.000 0.000 0.000) 0.000 2.095 ( -0.000 0.000 0.000) 0.000 2.990 ( -0.000 0.000 0.000) 0.000 5.003 ( -0.000 0.000 0.000) 0.000 5.003 ( -0.000 0.000 0.000) 0.000 5.710 ( -0.000 0.000 0.000) 0.000 5.710 ( -0.000 0.000 0.000) 0.000 7.329 ( -0.000 0.000 0.000) 0.000 7.897 ( -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 10.0 546.372 546.372 1265.487 0.000 -0.000 -0.000 3/32928 20.0 118.371 118.371 118.194 0.000 -0.000 -0.000 3/32928 30.0 61.596 61.596 47.133 0.000 -0.000 -0.000 3/32928 40.0 40.968 40.968 27.968 0.000 -0.000 -0.000 3/32928 50.0 29.720 29.720 19.338 0.000 -0.000 -0.000 3/32928 60.0 22.854 22.854 14.550 0.000 -0.000 -0.000 3/32928 70.0 18.392 18.392 11.583 0.000 -0.000 -0.000 3/32928 80.0 15.333 15.333 9.598 0.000 -0.000 -0.000 3/32928 90.0 13.134 13.134 8.192 0.000 -0.000 -0.000 3/32928 100.0 11.489 11.489 7.149 0.000 -0.000 -0.000 3/32928 110.0 10.216 10.216 6.346 0.000 -0.000 -0.000 3/32928 120.0 9.204 9.204 5.710 0.000 -0.000 -0.000 3/32928 130.0 8.379 8.379 5.194 0.000 -0.000 -0.000 3/32928 140.0 7.695 7.695 4.766 0.000 -0.000 -0.000 3/32928 150.0 7.117 7.117 4.406 0.000 -0.000 -0.000 3/32928 160.0 6.623 6.623 4.098 0.000 -0.000 -0.000 3/32928 170.0 6.194 6.194 3.831 0.000 -0.000 -0.000 3/32928 180.0 5.820 5.820 3.598 0.000 -0.000 -0.000 3/32928 190.0 5.490 5.490 3.393 0.000 -0.000 -0.000 3/32928 200.0 5.196 5.196 3.210 0.000 -0.000 -0.000 3/32928 210.0 4.932 4.932 3.047 0.000 -0.000 -0.000 3/32928 220.0 4.695 4.695 2.900 0.000 -0.000 -0.000 3/32928 230.0 4.480 4.480 2.767 0.000 -0.000 -0.000 3/32928 240.0 4.285 4.285 2.645 0.000 -0.000 -0.000 3/32928 250.0 4.106 4.106 2.535 0.000 -0.000 -0.000 3/32928 260.0 3.941 3.941 2.433 0.000 -0.000 -0.000 3/32928 270.0 3.790 3.790 2.339 0.000 -0.000 -0.000 3/32928 280.0 3.650 3.650 2.252 0.000 -0.000 -0.000 3/32928 290.0 3.520 3.520 2.172 0.000 -0.000 -0.000 3/32928 300.0 3.399 3.399 2.097 0.000 -0.000 -0.000 3/32928 310.0 3.287 3.287 2.028 0.000 -0.000 -0.000 3/32928 320.0 3.181 3.181 1.962 0.000 -0.000 -0.000 3/32928 330.0 3.083 3.083 1.901 0.000 -0.000 -0.000 3/32928 340.0 2.990 2.990 1.844 0.000 -0.000 -0.000 3/32928 350.0 2.903 2.903 1.790 0.000 -0.000 -0.000 3/32928 360.0 2.820 2.820 1.739 0.000 -0.000 -0.000 3/32928 370.0 2.743 2.743 1.691 0.000 -0.000 -0.000 3/32928 380.0 2.669 2.669 1.646 0.000 -0.000 -0.000 3/32928 390.0 2.600 2.600 1.603 0.000 -0.000 -0.000 3/32928 400.0 2.534 2.534 1.562 0.000 -0.000 -0.000 3/32928 410.0 2.471 2.471 1.524 0.000 -0.000 -0.000 3/32928 420.0 2.412 2.412 1.487 0.000 -0.000 -0.000 3/32928 430.0 2.355 2.355 1.452 0.000 -0.000 -0.000 3/32928 440.0 2.301 2.301 1.418 0.000 -0.000 -0.000 3/32928 450.0 2.249 2.249 1.386 0.000 -0.000 -0.000 3/32928 460.0 2.200 2.200 1.356 0.000 -0.000 -0.000 3/32928 470.0 2.152 2.152 1.327 0.000 -0.000 -0.000 3/32928 480.0 2.107 2.107 1.299 0.000 -0.000 -0.000 3/32928 490.0 2.064 2.064 1.272 0.000 -0.000 -0.000 3/32928 500.0 2.022 2.022 1.246 0.000 -0.000 -0.000 3/32928 510.0 1.982 1.982 1.221 0.000 -0.000 -0.000 3/32928 520.0 1.944 1.944 1.198 0.000 -0.000 -0.000 3/32928 530.0 1.907 1.907 1.175 0.000 -0.000 -0.000 3/32928 540.0 1.871 1.871 1.153 0.000 -0.000 -0.000 3/32928 550.0 1.837 1.837 1.132 0.000 -0.000 -0.000 3/32928 560.0 1.804 1.804 1.111 0.000 -0.000 -0.000 3/32928 570.0 1.772 1.772 1.092 0.000 -0.000 -0.000 3/32928 580.0 1.741 1.741 1.073 0.000 -0.000 -0.000 3/32928 590.0 1.712 1.712 1.055 0.000 -0.000 -0.000 3/32928 600.0 1.683 1.683 1.037 0.000 -0.000 -0.000 3/32928 610.0 1.655 1.655 1.020 0.000 -0.000 -0.000 3/32928 620.0 1.628 1.628 1.003 0.000 -0.000 -0.000 3/32928 630.0 1.602 1.602 0.987 0.000 -0.000 -0.000 3/32928 640.0 1.577 1.577 0.972 0.000 -0.000 -0.000 3/32928 650.0 1.553 1.553 0.957 0.000 -0.000 -0.000 3/32928 660.0 1.529 1.529 0.942 0.000 -0.000 -0.000 3/32928 670.0 1.506 1.506 0.928 0.000 -0.000 -0.000 3/32928 680.0 1.484 1.484 0.914 0.000 -0.000 -0.000 3/32928 690.0 1.462 1.462 0.901 0.000 -0.000 -0.000 3/32928 700.0 1.441 1.441 0.888 0.000 -0.000 -0.000 3/32928 710.0 1.421 1.421 0.875 0.000 -0.000 -0.000 3/32928 720.0 1.401 1.401 0.863 0.000 -0.000 -0.000 3/32928 730.0 1.382 1.382 0.851 0.000 -0.000 -0.000 3/32928 740.0 1.363 1.363 0.840 0.000 -0.000 -0.000 3/32928 750.0 1.345 1.345 0.829 0.000 -0.000 -0.000 3/32928 760.0 1.327 1.327 0.818 0.000 -0.000 -0.000 3/32928 770.0 1.310 1.310 0.807 0.000 -0.000 -0.000 3/32928 780.0 1.293 1.293 0.797 0.000 -0.000 -0.000 3/32928 790.0 1.277 1.277 0.786 0.000 -0.000 -0.000 3/32928 800.0 1.261 1.261 0.777 0.000 -0.000 -0.000 3/32928 810.0 1.245 1.245 0.767 0.000 -0.000 -0.000 3/32928 820.0 1.230 1.230 0.758 0.000 -0.000 -0.000 3/32928 830.0 1.215 1.215 0.748 0.000 -0.000 -0.000 3/32928 840.0 1.201 1.201 0.739 0.000 -0.000 -0.000 3/32928 850.0 1.187 1.187 0.731 0.000 -0.000 -0.000 3/32928 860.0 1.173 1.173 0.722 0.000 -0.000 -0.000 3/32928 870.0 1.159 1.159 0.714 0.000 -0.000 -0.000 3/32928 880.0 1.146 1.146 0.706 0.000 -0.000 -0.000 3/32928 890.0 1.133 1.133 0.698 0.000 -0.000 -0.000 3/32928 900.0 1.120 1.120 0.690 0.000 -0.000 -0.000 3/32928 910.0 1.108 1.108 0.682 0.000 -0.000 -0.000 3/32928 920.0 1.096 1.096 0.675 0.000 -0.000 -0.000 3/32928 930.0 1.084 1.084 0.668 0.000 -0.000 -0.000 3/32928 940.0 1.073 1.073 0.661 0.000 -0.000 -0.000 3/32928 950.0 1.061 1.061 0.654 0.000 -0.000 -0.000 3/32928 960.0 1.050 1.050 0.647 0.000 -0.000 -0.000 3/32928 970.0 1.040 1.040 0.640 0.000 -0.000 -0.000 3/32928 980.0 1.029 1.029 0.634 0.000 -0.000 -0.000 3/32928 990.0 1.019 1.019 0.627 0.000 -0.000 -0.000 3/32928 1000.0 1.008 1.008 0.621 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 23:18:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|