# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/9d8cd589-0434-48be-89a8-57f616e6d8dc/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 CsTmS2 / R-3m (166) / materials id 9089](https://mdr.nims.go.jp/datasets/bf39762f-269e-4a55-b5d0-324f0feaca21) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:12:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.990889686342764 1.149440696336842 7.916058569999993 b -1.990889686342760 1.149440696336842 7.916058569999993 c 0.000000000000002 -2.298881392673687 7.916058569999993Atomic positions (fractional): *1 S 0.77285433131933 0.77285433131934 0.77285433131933 32.065 2 S 0.22714566868067 0.22714566868067 0.22714566868067 32.065 *3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.981779372685524 0.000000000000000 0.000000000000000 b -1.990889686342762 3.448322089010529 0.000000000000000 c 0.000000000000000 0.000000000000000 23.748175710000002Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.77285433131933 32.065 > 1 2 S 0.33333333333333 0.66666666666667 0.89381233534733 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.10618766465267 32.065 > 1 4 S 0.00000000000000 0.00000000000000 0.22714566868067 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.43952099798600 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.56047900201400 32.065 > 2 *7 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 8 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 3 9 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 3 *10 Tm 0.66666666666667 0.33333333333333 0.83333333333333 168.934 > 4 11 Tm 0.33333333333333 0.66666666666667 0.16666666666667 168.934 > 4 12 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 11.945338118056572 0.000000000000000 0.000000000000000 b -5.972669059028286 10.344966267031587 0.000000000000000 c 0.000000000000000 0.000000000000000 23.748175710000002Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.77285433131933 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.77285433131933 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.77285433131933 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.77285433131933 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.77285433131933 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.77285433131933 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.77285433131933 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.77285433131933 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.77285433131933 32.065 > 1 10 S 0.11111111111111 0.22222222222222 0.89381233534733 32.065 > 2 11 S 0.44444444444444 0.22222222222222 0.89381233534733 32.065 > 2 12 S 0.77777777777778 0.22222222222222 0.89381233534733 32.065 > 2 13 S 0.11111111111111 0.55555555555556 0.89381233534733 32.065 > 2 14 S 0.44444444444444 0.55555555555556 0.89381233534733 32.065 > 2 15 S 0.77777777777778 0.55555555555556 0.89381233534733 32.065 > 2 16 S 0.11111111111111 0.88888888888889 0.89381233534733 32.065 > 2 17 S 0.44444444444444 0.88888888888889 0.89381233534733 32.065 > 2 18 S 0.77777777777778 0.88888888888889 0.89381233534733 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.10618766465267 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.10618766465267 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.10618766465267 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.10618766465267 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.10618766465267 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.10618766465267 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.10618766465267 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.10618766465267 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.10618766465267 32.065 > 1 28 S 0.00000000000000 0.00000000000000 0.22714566868067 32.065 > 2 29 S 0.33333333333333 0.00000000000000 0.22714566868067 32.065 > 2 30 S 0.66666666666667 0.00000000000000 0.22714566868067 32.065 > 2 31 S 0.00000000000000 0.33333333333333 0.22714566868067 32.065 > 2 32 S 0.33333333333333 0.33333333333333 0.22714566868067 32.065 > 2 33 S 0.66666666666667 0.33333333333333 0.22714566868067 32.065 > 2 34 S 0.00000000000000 0.66666666666667 0.22714566868067 32.065 > 2 35 S 0.33333333333333 0.66666666666667 0.22714566868067 32.065 > 2 36 S 0.66666666666667 0.66666666666667 0.22714566868067 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.43952099798600 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.43952099798600 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.43952099798600 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.43952099798600 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.43952099798600 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.43952099798600 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.43952099798600 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.43952099798600 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.43952099798600 32.065 > 1 46 S 0.22222222222222 0.11111111111111 0.56047900201400 32.065 > 2 47 S 0.55555555555556 0.11111111111111 0.56047900201400 32.065 > 2 48 S 0.88888888888889 0.11111111111111 0.56047900201400 32.065 > 2 49 S 0.22222222222222 0.44444444444444 0.56047900201400 32.065 > 2 50 S 0.55555555555556 0.44444444444444 0.56047900201400 32.065 > 2 51 S 0.88888888888889 0.44444444444444 0.56047900201400 32.065 > 2 52 S 0.22222222222222 0.77777777777778 0.56047900201400 32.065 > 2 53 S 0.55555555555556 0.77777777777778 0.56047900201400 32.065 > 2 54 S 0.88888888888889 0.77777777777778 0.56047900201400 32.065 > 2 *55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 3 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 3 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 3 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 3 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 3 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 3 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 3 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 3 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 3 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 3 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 3 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 3 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 3 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 3 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 3 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 3 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 3 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 3 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 3 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 3 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 3 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 3 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 3 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 3 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 3 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 3 *82 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 4 83 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 4 84 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 4 85 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 4 86 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 4 87 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 4 88 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 4 89 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 4 90 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 4 91 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 4 92 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 4 93 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 4 94 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 4 95 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 4 96 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 4 97 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 4 98 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 4 99 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 4 100 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 4 101 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 4 102 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 4 103 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 4 104 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 4 105 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 4 106 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 4 107 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 4 108 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6557696 0.0000000 0.0000000 0.0000000 5.6557696 0.0000000 0.0000000 0.0000000 4.8640184-------------------------- Born effective charges -------------------------- 1 S -2.7438944 -0.0000000 0.0000000 0.0000000 -2.7438944 0.0000000 0.0000000 0.0000000 -2.1267053 2 S -2.7438944 -0.0000000 0.0000000 0.0000000 -2.7438944 0.0000000 0.0000000 0.0000000 -2.1267053 3 Cs 1.1320644 -0.0000000 0.0000000 0.0000000 1.1320644 0.0000000 0.0000000 0.0000000 2.2665769 4 Tm 4.3557244 0.0000000 0.0000000 0.0000000 4.3557244 0.0000000 0.0000000 0.0000000 1.9868336----------------------------------------------------------------------------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: 221Finding 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: 0.117Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.124--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 221Finding 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 23:12:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:52]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.990889686342764 1.149440696336842 7.916058569999993 b -1.990889686342760 1.149440696336842 7.916058569999993 c 0.000000000000002 -2.298881392673687 7.916058569999993Atomic positions (fractional): 1 S 0.77285433131933 0.77285433131934 0.77285433131933 32.065 2 S 0.22714566868067 0.22714566868067 0.22714566868067 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934-------------------------------- supercell ---------------------------------Lattice vectors: a 11.945338118056572 0.000000000000000 0.000000000000000 b -5.972669059028286 10.344966267031587 0.000000000000000 c 0.000000000000000 0.000000000000000 23.748175710000002Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.77285433131933 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.77285433131933 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.77285433131933 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.77285433131933 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.77285433131933 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.77285433131933 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.77285433131933 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.77285433131933 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.77285433131933 32.065 > 1 10 S 0.11111111111111 0.22222222222222 0.89381233534733 32.065 > 10 11 S 0.44444444444444 0.22222222222222 0.89381233534733 32.065 > 10 12 S 0.77777777777778 0.22222222222222 0.89381233534733 32.065 > 10 13 S 0.11111111111111 0.55555555555556 0.89381233534733 32.065 > 10 14 S 0.44444444444444 0.55555555555556 0.89381233534733 32.065 > 10 15 S 0.77777777777778 0.55555555555556 0.89381233534733 32.065 > 10 16 S 0.11111111111111 0.88888888888889 0.89381233534733 32.065 > 10 17 S 0.44444444444444 0.88888888888889 0.89381233534733 32.065 > 10 18 S 0.77777777777778 0.88888888888889 0.89381233534733 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.10618766465267 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.10618766465267 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.10618766465267 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.10618766465267 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.10618766465267 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.10618766465267 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.10618766465267 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.10618766465267 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.10618766465267 32.065 > 1 28 S 0.00000000000000 0.00000000000000 0.22714566868067 32.065 > 10 29 S 0.33333333333333 0.00000000000000 0.22714566868067 32.065 > 10 30 S 0.66666666666667 0.00000000000000 0.22714566868067 32.065 > 10 31 S 0.00000000000000 0.33333333333333 0.22714566868067 32.065 > 10 32 S 0.33333333333333 0.33333333333333 0.22714566868067 32.065 > 10 33 S 0.66666666666667 0.33333333333333 0.22714566868067 32.065 > 10 34 S 0.00000000000000 0.66666666666667 0.22714566868067 32.065 > 10 35 S 0.33333333333333 0.66666666666667 0.22714566868067 32.065 > 10 36 S 0.66666666666667 0.66666666666667 0.22714566868067 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.43952099798600 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.43952099798600 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.43952099798600 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.43952099798600 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.43952099798600 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.43952099798600 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.43952099798600 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.43952099798600 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.43952099798600 32.065 > 1 46 S 0.22222222222222 0.11111111111111 0.56047900201400 32.065 > 10 47 S 0.55555555555556 0.11111111111111 0.56047900201400 32.065 > 10 48 S 0.88888888888889 0.11111111111111 0.56047900201400 32.065 > 10 49 S 0.22222222222222 0.44444444444444 0.56047900201400 32.065 > 10 50 S 0.55555555555556 0.44444444444444 0.56047900201400 32.065 > 10 51 S 0.88888888888889 0.44444444444444 0.56047900201400 32.065 > 10 52 S 0.22222222222222 0.77777777777778 0.56047900201400 32.065 > 10 53 S 0.55555555555556 0.77777777777778 0.56047900201400 32.065 > 10 54 S 0.88888888888889 0.77777777777778 0.56047900201400 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 82 83 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 82 84 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 82 85 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 82 86 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 82 87 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 82 88 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 82 89 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 82 90 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 82 91 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 82 92 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 82 93 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 82 94 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 82 95 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 82 96 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 82 97 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 82 98 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 82 99 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 82 100 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 82 101 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 82 102 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 82 103 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 82 104 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 82 105 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 82 106 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 82 107 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 82 108 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6557696 0.0000000 0.0000000 0.0000000 5.6557696 0.0000000 0.0000000 0.0000000 4.8640184-------------------------- Born effective charges -------------------------- 1 S -2.7438944 -0.0000000 0.0000000 0.0000000 -2.7438944 0.0000000 0.0000000 0.0000000 -2.1267053 2 S -2.7438944 -0.0000000 0.0000000 0.0000000 -2.7438944 0.0000000 0.0000000 0.0000000 -2.1267053 3 Cs 1.1320644 -0.0000000 0.0000000 0.0000000 1.1320644 0.0000000 0.0000000 0.0000000 2.2665769 4 Tm 4.3557244 0.0000000 0.0000000 0.0000000 4.3557244 0.0000000 0.0000000 0.0000000 1.9868336----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:12:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:57]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.990889686342764 1.149440696336842 7.916058569999993 b -1.990889686342760 1.149440696336842 7.916058569999993 c 0.000000000000002 -2.298881392673687 7.916058569999993Atomic positions (fractional): 1 S 0.77285433131933 0.77285433131934 0.77285433131933 32.065 2 S 0.22714566868067 0.22714566868067 0.22714566868067 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934-------------------------------- supercell ---------------------------------Lattice vectors: a 11.945338118056572 0.000000000000000 0.000000000000000 b -5.972669059028286 10.344966267031587 0.000000000000000 c 0.000000000000000 0.000000000000000 23.748175710000002Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.77285433131933 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.77285433131933 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.77285433131933 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.77285433131933 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.77285433131933 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.77285433131933 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.77285433131933 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.77285433131933 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.77285433131933 32.065 > 1 10 S 0.11111111111111 0.22222222222222 0.89381233534733 32.065 > 10 11 S 0.44444444444444 0.22222222222222 0.89381233534733 32.065 > 10 12 S 0.77777777777778 0.22222222222222 0.89381233534733 32.065 > 10 13 S 0.11111111111111 0.55555555555556 0.89381233534733 32.065 > 10 14 S 0.44444444444444 0.55555555555556 0.89381233534733 32.065 > 10 15 S 0.77777777777778 0.55555555555556 0.89381233534733 32.065 > 10 16 S 0.11111111111111 0.88888888888889 0.89381233534733 32.065 > 10 17 S 0.44444444444444 0.88888888888889 0.89381233534733 32.065 > 10 18 S 0.77777777777778 0.88888888888889 0.89381233534733 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.10618766465267 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.10618766465267 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.10618766465267 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.10618766465267 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.10618766465267 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.10618766465267 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.10618766465267 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.10618766465267 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.10618766465267 32.065 > 1 28 S 0.00000000000000 0.00000000000000 0.22714566868067 32.065 > 10 29 S 0.33333333333333 0.00000000000000 0.22714566868067 32.065 > 10 30 S 0.66666666666667 0.00000000000000 0.22714566868067 32.065 > 10 31 S 0.00000000000000 0.33333333333333 0.22714566868067 32.065 > 10 32 S 0.33333333333333 0.33333333333333 0.22714566868067 32.065 > 10 33 S 0.66666666666667 0.33333333333333 0.22714566868067 32.065 > 10 34 S 0.00000000000000 0.66666666666667 0.22714566868067 32.065 > 10 35 S 0.33333333333333 0.66666666666667 0.22714566868067 32.065 > 10 36 S 0.66666666666667 0.66666666666667 0.22714566868067 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.43952099798600 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.43952099798600 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.43952099798600 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.43952099798600 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.43952099798600 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.43952099798600 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.43952099798600 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.43952099798600 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.43952099798600 32.065 > 1 46 S 0.22222222222222 0.11111111111111 0.56047900201400 32.065 > 10 47 S 0.55555555555556 0.11111111111111 0.56047900201400 32.065 > 10 48 S 0.88888888888889 0.11111111111111 0.56047900201400 32.065 > 10 49 S 0.22222222222222 0.44444444444444 0.56047900201400 32.065 > 10 50 S 0.55555555555556 0.44444444444444 0.56047900201400 32.065 > 10 51 S 0.88888888888889 0.44444444444444 0.56047900201400 32.065 > 10 52 S 0.22222222222222 0.77777777777778 0.56047900201400 32.065 > 10 53 S 0.55555555555556 0.77777777777778 0.56047900201400 32.065 > 10 54 S 0.88888888888889 0.77777777777778 0.56047900201400 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Tm 0.22222222222222 0.11111111111111 0.83333333333333 168.934 > 82 83 Tm 0.55555555555556 0.11111111111111 0.83333333333333 168.934 > 82 84 Tm 0.88888888888889 0.11111111111111 0.83333333333333 168.934 > 82 85 Tm 0.22222222222222 0.44444444444444 0.83333333333333 168.934 > 82 86 Tm 0.55555555555556 0.44444444444444 0.83333333333333 168.934 > 82 87 Tm 0.88888888888889 0.44444444444444 0.83333333333333 168.934 > 82 88 Tm 0.22222222222222 0.77777777777778 0.83333333333333 168.934 > 82 89 Tm 0.55555555555556 0.77777777777778 0.83333333333333 168.934 > 82 90 Tm 0.88888888888889 0.77777777777778 0.83333333333333 168.934 > 82 91 Tm 0.11111111111111 0.22222222222222 0.16666666666667 168.934 > 82 92 Tm 0.44444444444444 0.22222222222222 0.16666666666667 168.934 > 82 93 Tm 0.77777777777778 0.22222222222222 0.16666666666667 168.934 > 82 94 Tm 0.11111111111111 0.55555555555556 0.16666666666667 168.934 > 82 95 Tm 0.44444444444444 0.55555555555556 0.16666666666667 168.934 > 82 96 Tm 0.77777777777778 0.55555555555556 0.16666666666667 168.934 > 82 97 Tm 0.11111111111111 0.88888888888889 0.16666666666667 168.934 > 82 98 Tm 0.44444444444444 0.88888888888889 0.16666666666667 168.934 > 82 99 Tm 0.77777777777778 0.88888888888889 0.16666666666667 168.934 > 82 100 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 82 101 Tm 0.33333333333333 0.00000000000000 0.50000000000000 168.934 > 82 102 Tm 0.66666666666667 0.00000000000000 0.50000000000000 168.934 > 82 103 Tm 0.00000000000000 0.33333333333333 0.50000000000000 168.934 > 82 104 Tm 0.33333333333333 0.33333333333333 0.50000000000000 168.934 > 82 105 Tm 0.66666666666667 0.33333333333333 0.50000000000000 168.934 > 82 106 Tm 0.00000000000000 0.66666666666667 0.50000000000000 168.934 > 82 107 Tm 0.33333333333333 0.66666666666667 0.50000000000000 168.934 > 82 108 Tm 0.66666666666667 0.66666666666667 0.50000000000000 168.934 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6557696 0.0000000 0.0000000 0.0000000 5.6557696 0.0000000 0.0000000 0.0000000 4.8640184-------------------------- Born effective charges -------------------------- 1 S -2.7438944 -0.0000000 0.0000000 0.0000000 -2.7438944 0.0000000 0.0000000 0.0000000 -2.1267053 2 S -2.7438944 -0.0000000 0.0000000 0.0000000 -2.7438944 0.0000000 0.0000000 0.0000000 -2.1267053 3 Cs 1.1320644 -0.0000000 0.0000000 0.0000000 1.1320644 0.0000000 0.0000000 0.0000000 2.2665769 4 Tm 4.3557244 0.0000000 0.0000000 0.0000000 4.3557244 0.0000000 0.0000000 0.0000000 1.9868336----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.87, Number of G-points: 295, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.364 ( 16.950 9.786 -6.214) 20.535 0.377 ( 17.349 10.016 -4.323) 20.494 0.772 ( 31.699 18.302 13.667) 39.071 1.686 ( 1.285 0.742 0.630) 1.612 1.750 ( 6.475 3.739 -1.697) 7.667 3.079 ( -1.900 -1.097 1.859) 2.876 5.181 ( 2.477 1.430 0.249) 2.871 6.413 ( -2.968 -1.713 -0.170) 3.431 6.431 ( -1.390 -0.803 -0.052) 1.606 6.967 ( 5.154 2.975 -19.855) 20.728 8.144 ( -9.185 -5.303 4.489) 11.516 8.405 ( 2.268 1.309 0.769) 2.729======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( 15.922 9.193 -5.906) 19.311 0.746 ( 16.904 9.760 -6.198) 20.480 1.440 ( 22.855 13.195 11.829) 28.920 1.735 ( 2.895 1.671 1.295) 3.585 1.979 ( 15.777 9.109 -2.871) 18.442 3.027 ( -2.789 -1.610 -0.285) 3.233 5.265 ( 4.920 2.840 0.308) 5.689 6.321 ( -4.937 -2.851 -0.702) 5.744 6.389 ( -2.186 -1.262 -0.043) 2.524 7.044 ( 4.829 2.788 -6.582) 8.626 7.931 ( -10.609 -6.125 2.593) 12.522 8.416 ( -0.999 -0.577 -2.295) 2.569======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 13.162 7.599 -5.400) 16.129 1.091 ( 15.664 9.044 -8.028) 19.789 1.809 ( 9.659 5.577 4.940) 12.198 1.828 ( 5.170 2.985 1.829) 6.244 2.441 ( 23.254 13.426 -1.431) 26.890 2.968 ( -1.964 -1.134 2.130) 3.111 5.400 ( 7.038 4.064 0.103) 8.128 6.202 ( -5.050 -2.916 -1.750) 6.089 6.340 ( -2.104 -1.215 0.075) 2.431 7.131 ( 3.423 1.977 -0.299) 3.964 7.690 ( -11.416 -6.591 0.963) 13.217 8.357 ( -3.109 -1.795 -3.939) 5.329======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( 8.846 5.107 -4.386) 11.117 1.397 ( 13.752 7.940 -8.806) 18.158 1.969 ( 4.680 2.702 0.396) 5.418 1.976 ( 7.504 4.333 1.781) 8.846 2.766 ( 2.087 1.205 -2.759) 3.663 3.099 ( 15.704 9.067 6.794) 19.364 5.572 ( 8.203 4.736 -0.308) 9.477 6.103 ( -2.802 -1.617 -3.066) 4.457 6.301 ( -1.304 -0.753 0.327) 1.541 7.179 ( -0.148 -0.085 4.472) 4.475 7.432 ( -11.203 -6.468 -2.260) 13.133 8.275 ( -2.821 -1.629 -4.188) 5.306======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 5.062 2.922 -2.952) 6.548 1.655 ( 11.479 6.628 -8.067) 15.517 2.042 ( 2.544 1.469 -1.720) 3.404 2.156 ( 7.805 4.506 1.188) 9.091 2.712 ( -4.894 -2.826 3.146) 6.468 3.481 ( 14.784 8.536 2.830) 17.304 5.752 ( 7.697 4.444 -0.762) 8.920 6.074 ( 1.279 0.738 -4.024) 4.286 6.285 ( -0.249 -0.144 0.660) 0.720 7.085 ( -11.158 -6.442 6.679) 14.512 7.241 ( -3.246 -1.874 -4.989) 6.241 8.222 ( -0.840 -0.485 -2.900) 3.058======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 2.594 1.498 -1.623) 3.407 1.856 ( 7.851 4.533 -5.534) 10.621 2.097 ( 3.608 2.083 -2.872) 5.060 2.312 ( 5.611 3.239 0.600) 6.506 2.585 ( -7.426 -4.287 5.393) 10.130 3.748 ( 8.602 4.966 0.870) 9.971 5.898 ( 5.301 3.061 -0.934) 6.192 6.141 ( 5.675 3.276 -4.043) 7.700 6.292 ( 0.506 0.292 0.810) 0.999 6.811 ( -13.223 -7.634 2.493) 15.470 7.186 ( -1.659 -0.958 -1.357) 2.347 8.216 ( 0.513 0.296 -1.283) 1.414======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 0.807 0.466 -0.513) 1.064 1.955 ( 2.003 1.157 -1.511) 2.763 2.208 ( 6.540 3.776 -4.099) 8.593 2.400 ( 2.009 1.160 0.177) 2.326 2.424 ( -7.483 -4.320 4.864) 9.916 3.875 ( 2.745 1.585 0.122) 3.172 5.976 ( 1.817 1.049 -0.444) 2.144 6.300 ( 9.306 5.373 -3.147) 11.197 6.305 ( 0.380 0.220 0.391) 0.588 6.533 ( -11.926 -6.886 2.169) 13.941 7.157 ( -0.655 -0.378 -0.337) 0.828 8.226 ( 0.384 0.222 -0.305) 0.538======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 0.000 19.079 12.865) 23.011 0.462 ( 0.000 20.548 11.233) 23.418 0.720 ( -0.000 34.740 4.084) 34.979 1.674 ( -0.000 0.979 -2.244) 2.448 1.757 ( -0.000 8.045 -0.010) 8.045 3.087 ( 0.000 -3.610 3.394) 4.955 5.181 ( -0.000 2.851 0.321) 2.869 6.410 ( -0.000 -3.332 -0.899) 3.452 6.430 ( 0.000 -1.637 -0.275) 1.660 6.876 ( -0.000 13.201 -37.202) 39.474 8.164 ( 0.000 -11.396 7.399) 13.588 8.417 ( 0.000 1.894 3.420) 3.909======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 1.571 16.007 10.451) 19.181 0.801 ( 5.846 23.350 -2.564) 24.207 1.263 ( 20.060 21.981 11.002) 31.727 1.705 ( 2.730 1.671 -1.872) 3.708 1.901 ( 6.009 13.359 -1.230) 14.700 3.040 ( -1.618 -3.229 -0.809) 3.701 5.238 ( 2.463 4.230 0.523) 4.922 6.348 ( -2.635 -4.436 -0.738) 5.212 6.402 ( -0.968 -1.866 -0.299) 2.124 6.957 ( 5.597 6.369 -17.644) 19.576 8.011 ( -6.525 -10.481 5.323) 13.444 8.427 ( -1.092 0.310 -0.417) 1.209======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 9.908 10.868 3.288) 15.069 1.101 ( 5.788 20.903 -5.789) 22.449 1.712 ( 11.426 8.199 6.669) 15.565 1.789 ( 4.603 4.001 0.358) 6.110 2.256 ( 16.902 20.100 -1.059) 26.284 2.978 ( -1.355 -3.042 -0.741) 3.411 5.348 ( 4.786 5.533 0.539) 7.335 6.241 ( -4.267 -4.471 -1.249) 6.305 6.365 ( -1.622 -0.987 -0.234) 1.913 7.064 ( 5.718 2.933 -7.373) 9.780 7.793 ( -9.178 -9.599 3.648) 13.773 8.380 ( -2.990 -1.710 -2.759) 4.413======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 10.961 7.049 -0.668) 13.049 1.361 ( 5.457 16.783 -6.798) 18.911 1.896 ( 6.385 3.275 -0.461) 7.191 1.941 ( 5.148 6.389 3.024) 8.744 2.698 ( 10.649 11.414 -4.158) 16.155 2.993 ( 7.402 3.805 5.848) 10.172 5.504 ( 6.491 6.601 0.295) 9.262 6.127 ( -3.746 -3.280 -2.254) 5.466 6.333 ( -1.821 0.666 -0.167) 1.946 7.152 ( 4.000 0.521 -1.925) 4.469 7.543 ( -10.794 -9.020 1.916) 14.196 8.291 ( -3.355 -2.679 -3.775) 5.717======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 7.945 4.706 -1.870) 9.422 1.576 ( 6.030 12.290 -6.819) 15.293 1.999 ( 3.648 1.137 -1.709) 4.186 2.108 ( 5.885 8.014 1.723) 10.091 2.758 ( -2.093 -0.934 0.052) 2.292 3.333 ( 15.171 11.166 4.101) 19.278 5.684 ( 6.832 7.013 -0.153) 9.792 6.057 ( -0.809 -1.108 -3.161) 3.446 6.318 ( -1.637 2.428 -0.036) 2.929 7.186 ( -0.499 -1.362 3.154) 3.472 7.273 ( -10.476 -8.232 -2.456) 13.548 8.214 ( -1.301 -2.508 -3.165) 4.243======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 3.809 3.858 -1.556) 5.641 1.765 ( 6.920 7.808 -5.850) 11.961 2.051 ( 2.883 0.735 -2.257) 3.734 2.281 ( 4.731 7.274 1.253) 8.767 2.683 ( -5.671 -1.644 3.281) 6.755 3.648 ( 10.466 6.987 1.718) 12.701 5.853 ( 5.316 6.396 -0.642) 8.342 6.071 ( 3.561 1.237 -3.307) 5.015 6.324 ( -1.336 3.658 0.070) 3.895 6.973 ( -13.499 -7.161 2.141) 15.430 7.186 ( -0.284 -1.851 -1.783) 2.585 8.186 ( 1.228 -2.093 -1.610) 2.912======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( 0.868 3.271 -0.894) 3.501 1.905 ( 4.562 2.706 -3.308) 6.251 2.121 ( 5.263 2.113 -3.188) 6.506 2.394 ( 1.422 3.221 1.651) 3.889 2.567 ( -8.212 1.540 3.163) 8.934 3.828 ( 5.289 2.638 0.731) 5.956 5.971 ( 2.286 4.937 -0.743) 5.492 6.174 ( 7.149 1.933 -2.292) 7.752 6.344 ( -0.723 4.709 -0.423) 4.783 6.691 ( -13.008 -5.465 1.681) 14.209 7.160 ( -0.549 -0.989 -0.795) 1.382 8.194 ( 2.108 -2.171 -0.391) 3.052======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -1.139 2.373 -0.126) 2.635 1.953 ( 1.061 -0.670 -0.486) 1.346 2.216 ( 3.171 -1.412 -1.750) 3.887 2.381 ( -1.787 -0.678 1.355) 2.343 2.509 ( -5.480 8.566 -0.026) 10.169 3.885 ( 0.309 -0.733 0.546) 0.965 6.016 ( -1.498 3.003 -0.147) 3.359 6.265 ( 2.105 -3.030 0.069) 3.690 6.433 ( 3.908 6.014 -1.893) 7.418 6.464 ( -7.968 0.865 2.128) 8.292 7.150 ( 0.282 -0.170 -0.265) 0.423 8.203 ( 1.605 -2.599 0.297) 3.069======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( -2.826 0.918 0.770) 3.069 1.928 ( -2.912 -2.342 2.170) 4.321 2.149 ( -4.467 -3.940 3.271) 6.795 2.379 ( -2.359 -0.193 -1.796) 2.971 2.539 ( 0.837 8.741 -3.490) 9.449 3.826 ( -5.323 -3.364 0.219) 6.301 5.977 ( -5.210 0.514 0.606) 5.270 6.193 ( -4.130 -5.369 2.291) 7.151 6.350 ( -4.743 3.241 1.000) 5.831 6.674 ( 11.284 8.571 -2.373) 14.367 7.165 ( 1.536 0.088 0.451) 1.603 8.200 ( 1.089 -2.731 1.045) 3.120======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -4.674 -1.601 1.938) 5.307 1.814 ( -8.772 -2.610 5.446) 10.650 2.072 ( -2.498 -2.144 2.649) 4.226 2.270 ( -8.538 -0.886 -1.279) 8.679 2.650 ( 4.593 5.137 -4.440) 8.197 3.636 ( -12.151 -5.768 -0.993) 13.487 5.859 ( -8.227 -1.641 0.745) 8.422 6.100 ( -2.454 -2.904 3.471) 5.148 6.323 ( -2.902 3.472 0.059) 4.526 6.944 ( 11.804 7.850 -4.510) 14.876 7.205 ( 2.963 -0.355 2.351) 3.799 8.203 ( 1.703 -1.882 2.271) 3.406======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -7.442 -5.461 3.429) 9.847 1.635 ( -12.837 -0.022 7.097) 14.668 2.011 ( -3.489 -2.459 1.239) 4.444 2.092 ( -10.100 -1.505 -1.953) 10.396 2.753 ( 3.900 2.708 -1.232) 4.905 3.301 ( -18.915 -7.844 -3.374) 20.753 5.687 ( -9.579 -2.727 0.433) 9.969 6.083 ( 1.274 -0.368 3.081) 3.354 6.318 ( -1.432 2.991 -0.090) 3.317 7.135 ( 4.411 3.101 -7.620) 9.334 7.310 ( 9.385 1.994 4.854) 10.753 8.242 ( 3.326 -0.191 3.423) 4.776======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( -11.339 -8.546 4.222) 14.813 1.421 ( -16.897 2.623 7.433) 18.645 1.895 ( -7.215 -3.738 -1.018) 8.190 1.913 ( -8.420 -1.436 -3.016) 9.058 2.736 ( -17.727 -3.847 4.753) 18.752 2.939 ( -3.614 -2.984 -6.940) 8.375 5.503 ( -9.046 -2.568 0.092) 9.404 6.145 ( 4.448 1.116 1.860) 4.948 6.333 ( 0.296 2.102 -0.067) 2.124 7.146 ( -0.895 -0.826 -3.245) 3.466 7.540 ( 12.254 3.547 1.000) 12.796 8.322 ( 4.150 0.942 3.323) 5.399======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( -14.677 -7.844 3.170) 16.941 1.154 ( -20.880 3.336 6.167) 22.026 1.658 ( -16.043 -5.220 -5.273) 17.676 1.783 ( -5.159 -0.798 -1.104) 5.336 2.265 ( -25.426 -4.923 0.981) 25.917 2.978 ( 4.225 0.510 -0.553) 4.291 5.345 ( -7.239 -1.491 -0.078) 7.392 6.249 ( 5.833 1.129 0.656) 5.977 6.366 ( 1.678 1.009 -0.030) 1.958 7.097 ( -2.925 -1.162 -0.034) 3.148 7.776 ( 12.170 2.446 -0.354) 12.418 8.400 ( 2.808 0.702 1.856) 3.438======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( -16.165 0.000 0.000) 16.165 0.815 ( -23.232 0.000 0.000) 23.232 1.213 ( -30.740 0.000 0.000) 30.740 1.713 ( -2.766 0.000 0.000) 2.766 1.906 ( -14.494 0.000 0.000) 14.494 3.043 ( 3.006 -0.000 -0.000) 3.006 5.235 ( -4.905 0.000 0.000) 4.905 6.351 ( 5.194 -0.000 -0.000) 5.194 6.404 ( 2.116 -0.000 -0.000) 2.116 7.037 ( -3.363 0.000 0.000) 3.363 7.986 ( 11.378 -0.000 -0.000) 11.378 8.428 ( -0.205 0.000 0.000) 0.205======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 0.000 17.410 11.731) 20.993 0.915 ( 0.000 20.184 9.158) 22.165 1.347 ( -0.000 26.168 4.012) 26.474 1.687 ( -0.000 2.483 -4.368) 5.024 2.005 ( -0.000 18.297 0.140) 18.297 3.011 ( -0.000 -4.525 -2.270) 5.062 5.268 ( -0.000 5.782 0.618) 5.815 6.321 ( 0.000 -5.024 -0.658) 5.067 6.385 ( -0.000 -2.631 -0.525) 2.683 6.926 ( -0.000 7.414 -17.692) 19.183 7.967 ( 0.000 -12.454 5.245) 13.513 8.441 ( 0.000 -0.437 0.270) 0.514======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( -4.785 16.689 11.986) 21.097 1.211 ( 4.657 19.500 0.157) 20.049 1.656 ( 7.683 12.384 4.777) 15.337 1.747 ( 4.900 5.418 -2.555) 7.739 2.270 ( 7.334 24.488 -0.459) 25.567 2.950 ( -0.493 -4.789 -2.739) 5.539 5.351 ( 2.314 7.126 0.799) 7.535 6.249 ( -2.484 -4.971 -0.637) 5.593 6.361 ( 0.229 -2.014 -0.475) 2.082 6.980 ( 4.208 3.976 -11.932) 13.262 7.819 ( -4.736 -11.910 4.448) 13.566 8.408 ( -2.594 -1.732 -0.985) 3.271======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 0.850 13.261 7.547) 15.281 1.445 ( 2.952 17.005 -4.002) 17.717 1.824 ( 5.790 4.484 -1.902) 7.566 1.930 ( 5.728 7.940 3.471) 10.388 2.658 ( 9.229 18.658 -4.398) 21.275 2.930 ( 4.447 0.466 3.092) 5.436 5.486 ( 4.438 8.276 0.942) 9.438 6.149 ( -3.563 -3.878 -1.346) 5.435 6.353 ( 0.129 0.090 -0.532) 0.554 7.058 ( 5.424 0.282 -7.102) 8.941 7.615 ( -7.745 -10.661 3.827) 13.722 8.321 ( -4.274 -2.785 -2.347) 5.616======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 3.773 9.544 3.489) 10.840 1.621 ( 2.285 13.228 -4.839) 14.270 1.939 ( 4.297 2.101 -2.362) 5.334 2.108 ( 5.268 9.209 2.339) 10.864 2.765 ( 0.255 -0.006 -2.956) 2.967 3.223 ( 13.514 14.156 4.239) 20.025 5.658 ( 5.610 8.923 0.846) 10.574 6.063 ( -2.441 -1.851 -2.148) 3.741 6.364 ( -0.318 2.728 -0.869) 2.880 7.117 ( 4.551 -2.487 -4.756) 7.037 7.381 ( -10.050 -8.907 3.720) 13.934 8.215 ( -3.461 -3.248 -2.777) 5.499======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 3.673 7.233 1.300) 8.216 1.757 ( 2.672 9.350 -4.161) 10.577 1.999 ( 2.961 0.341 -2.629) 3.975 2.289 ( 4.472 8.724 2.119) 10.030 2.749 ( -1.794 0.544 0.671) 1.991 3.552 ( 10.465 9.244 1.834) 14.083 5.837 ( 5.100 8.438 0.433) 9.869 6.034 ( 0.846 0.577 -2.366) 2.578 6.387 ( -0.959 4.657 -1.279) 4.924 7.096 ( -5.626 -7.173 -4.440) 10.140 7.170 ( -3.686 -2.824 4.155) 6.231 8.142 ( -0.383 -3.457 -2.002) 4.013======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 1.322 6.098 0.263) 6.245 1.865 ( 2.922 4.534 -2.677) 6.021 2.052 ( 3.988 0.866 -2.496) 4.784 2.410 ( 1.450 3.400 2.660) 4.554 2.726 ( -4.819 6.363 0.949) 8.038 3.758 ( 6.551 3.379 0.761) 7.410 5.981 ( 3.172 6.506 -0.109) 7.239 6.091 ( 4.453 2.414 -1.673) 5.334 6.411 ( -1.353 5.069 -1.732) 5.525 6.859 ( -11.880 -4.470 0.735) 12.714 7.150 ( 0.287 -1.283 -0.313) 1.351 8.121 ( 2.341 -3.920 -0.830) 4.640======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( -1.282 5.117 0.015) 5.275 1.920 ( 1.758 0.280 -1.183) 2.138 2.132 ( 4.744 0.269 -2.441) 5.342 2.414 ( -2.101 -1.272 2.634) 3.601 2.722 ( -6.885 12.285 -0.091) 14.083 3.851 ( 3.094 -0.869 0.707) 3.291 6.067 ( 0.283 4.829 0.014) 4.837 6.186 ( 4.492 0.014 -0.548) 4.526 6.439 ( 0.654 4.367 -2.406) 5.029 6.650 ( -10.909 1.674 2.178) 11.250 7.144 ( 0.088 -0.201 -0.566) 0.607 8.127 ( 3.118 -4.505 0.037) 5.479======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -3.455 3.527 0.299) 4.947 1.931 ( 0.315 -1.287 0.092) 1.328 2.156 ( -0.002 -3.704 -0.082) 3.704 2.384 ( -0.565 0.486 -0.438) 0.864 2.716 ( -7.988 12.194 -0.789) 14.599 3.852 ( -1.025 -3.059 0.838) 3.333 6.071 ( -3.887 2.107 0.455) 4.445 6.197 ( -1.195 -3.549 0.710) 3.811 6.470 ( -2.717 1.842 0.657) 3.347 6.621 ( 2.379 10.485 -0.828) 10.784 7.146 ( 0.560 -0.217 -0.350) 0.695 8.134 ( 2.791 -4.618 0.725) 5.444======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -5.484 0.901 0.858) 5.623 1.901 ( -2.857 -1.366 1.567) 3.533 2.097 ( -2.225 -3.030 2.288) 4.401 2.366 ( -2.985 -0.009 -2.097) 3.648 2.699 ( -4.887 8.716 -2.082) 10.207 3.754 ( -7.136 -3.944 0.354) 8.161 5.988 ( -7.326 0.088 0.750) 7.365 6.120 ( -2.977 -3.306 1.670) 4.752 6.437 ( -4.761 4.569 1.234) 6.712 6.827 ( 9.682 8.624 -2.875) 13.280 7.158 ( 1.822 -1.353 0.605) 2.349 8.142 ( 2.898 -3.634 1.506) 4.886======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -7.685 -1.915 1.586) 8.077 1.818 ( -6.912 0.270 2.936) 7.514 2.045 ( -2.429 -1.882 2.078) 3.710 2.253 ( -9.397 -0.130 -1.546) 9.524 2.724 ( 1.214 3.996 -2.212) 4.726 3.529 ( -15.088 -4.315 -0.751) 15.711 5.837 ( -10.055 -0.976 0.388) 10.109 6.073 ( -0.305 -1.449 1.963) 2.459 6.404 ( -4.355 3.821 0.634) 5.829 7.055 ( 8.437 6.664 -6.249) 12.436 7.193 ( 5.176 -2.664 3.973) 7.048 8.178 ( 4.041 -1.675 2.070) 4.839======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -10.611 -2.786 1.640) 11.093 1.691 ( -10.722 1.516 3.034) 11.246 1.971 ( -5.112 -1.713 0.380) 5.405 2.067 ( -11.252 -0.242 -1.268) 11.326 2.798 ( 4.347 1.695 0.252) 4.673 3.165 ( -22.799 -3.801 -1.913) 23.193 5.651 ( -10.581 -1.006 0.101) 10.629 6.092 ( 2.781 -0.038 1.131) 3.002 6.373 ( -2.597 1.856 0.177) 3.197 7.136 ( 0.743 0.578 -3.110) 3.249 7.358 ( 12.298 0.872 1.615) 12.434 8.254 ( 5.112 -0.111 1.615) 5.362======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -13.783 0.000 0.000) 13.783 1.487 ( -15.687 0.000 0.000) 15.687 1.840 ( -9.497 0.000 0.000) 9.497 1.893 ( -8.654 0.000 0.000) 8.654 2.704 ( -28.036 0.000 0.000) 28.036 2.896 ( 5.443 -0.000 -0.000) 5.443 5.477 ( -9.350 0.000 0.000) 9.350 6.162 ( 5.041 -0.000 -0.000) 5.041 6.358 ( -0.217 0.000 0.000) 0.217 7.126 ( -1.315 0.000 0.000) 1.315 7.577 ( 12.700 -0.000 -0.000) 12.700 8.342 ( 4.687 -0.000 -0.000) 4.687======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( 0.000 12.421 9.101) 15.399 1.332 ( 0.000 18.020 6.236) 19.069 1.737 ( -0.000 6.218 -5.162) 8.081 1.746 ( 0.000 13.734 3.540) 14.182 2.460 ( -0.000 26.969 -1.081) 26.991 2.892 ( -0.000 -5.672 -2.983) 6.409 5.410 ( -0.000 8.394 0.774) 8.430 6.226 ( 0.000 -4.256 0.062) 4.256 6.329 ( -0.000 -2.617 -0.657) 2.698 6.946 ( -0.000 2.844 -11.414) 11.762 7.750 ( 0.000 -12.475 3.798) 13.040 8.411 ( -0.000 -2.270 -0.420) 2.309======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( -4.028 10.637 7.938) 13.870 1.547 ( 2.807 14.807 1.040) 15.107 1.806 ( 1.798 8.071 -3.347) 8.920 1.925 ( 5.315 9.024 2.800) 10.841 2.713 ( 2.252 12.021 -8.306) 14.784 2.890 ( 4.435 8.260 5.142) 10.692 5.518 ( 2.348 9.333 0.918) 9.667 6.165 ( -2.659 -3.076 -0.323) 4.079 6.325 ( 2.014 -1.284 -0.543) 2.449 6.960 ( 3.189 -0.240 -8.799) 9.362 7.611 ( -3.509 -11.613 3.240) 12.557 8.357 ( -3.297 -2.680 -0.965) 4.357======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( -0.874 8.945 5.585) 10.581 1.707 ( 1.217 11.839 -1.843) 12.043 1.902 ( 2.340 4.781 -2.957) 6.089 2.112 ( 5.869 9.267 2.168) 11.182 2.726 ( 1.758 -2.693 -4.440) 5.483 3.200 ( 9.049 18.873 3.684) 21.252 5.671 ( 4.259 9.902 1.196) 10.845 6.090 ( -3.156 -1.325 -1.164) 3.616 6.363 ( 2.515 1.269 -1.036) 3.001 6.989 ( 4.704 -3.440 -6.280) 8.567 7.435 ( -5.948 -9.723 3.129) 11.819 8.253 ( -5.070 -2.811 -1.689) 6.038======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 1.615 8.013 3.864) 9.041 1.813 ( 0.505 8.652 -2.124) 8.923 1.954 ( 1.887 1.245 -3.503) 4.169 2.302 ( 4.864 8.456 2.560) 10.085 2.744 ( 3.032 0.242 -0.991) 3.199 3.505 ( 7.653 12.430 1.585) 14.683 5.846 ( 4.613 9.466 1.229) 10.602 6.041 ( -1.495 0.861 -1.533) 2.308 6.418 ( 1.638 3.331 -2.184) 4.307 7.009 ( 4.105 -5.206 -4.563) 8.048 7.253 ( -7.056 -6.516 3.470) 10.212 8.140 ( -4.040 -3.005 -1.891) 5.379======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( 1.593 7.579 2.459) 8.126 1.880 ( 0.280 4.411 -0.980) 4.528 1.991 ( 3.022 0.863 -3.113) 4.424 2.421 ( 1.676 2.598 2.975) 4.290 2.829 ( 2.001 8.276 -0.153) 8.516 3.696 ( 4.966 4.690 0.330) 6.839 5.993 ( 2.767 6.545 0.576) 7.129 6.063 ( 2.141 3.706 -0.850) 4.363 6.457 ( 0.005 2.823 -3.275) 4.324 6.970 ( -3.893 -3.136 -1.474) 5.212 7.135 ( -1.422 -2.513 2.044) 3.538 8.060 ( -0.813 -3.877 -1.424) 4.210======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -0.671 7.043 1.134) 7.165 1.905 ( 0.318 0.749 -0.462) 0.936 2.054 ( 4.048 0.244 -1.797) 4.435 2.436 ( -0.976 -1.026 2.364) 2.756 2.940 ( -2.685 14.230 -0.275) 14.484 3.777 ( 3.622 -1.806 0.189) 4.052 6.089 ( 2.808 4.583 0.587) 5.407 6.140 ( 1.913 2.858 -0.465) 3.470 6.454 ( -0.414 0.007 -3.296) 3.322 6.855 ( -8.629 4.009 1.488) 9.630 7.134 ( 1.086 -0.291 -0.094) 1.129 8.028 ( 2.311 -5.174 -0.624) 5.701======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( -3.553 5.719 0.587) 6.758 1.911 ( 0.564 -0.611 -0.258) 0.871 2.097 ( 2.548 -2.744 -1.116) 3.907 2.408 ( -1.536 -0.275 1.018) 1.863 2.988 ( -8.410 14.321 -0.553) 16.618 3.800 ( 2.959 -4.666 0.697) 5.569 6.143 ( -2.296 1.811 0.075) 2.926 6.177 ( 1.550 0.297 0.856) 1.795 6.453 ( 2.447 -0.609 -2.082) 3.270 6.794 ( -7.043 10.084 1.598) 12.404 7.140 ( -0.137 -0.127 -0.817) 0.838 8.028 ( 3.798 -5.521 0.180) 6.703======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( -6.202 2.893 0.474) 6.860 1.911 ( 0.092 -0.677 0.062) 0.686 2.085 ( 0.383 -3.260 0.063) 3.283 2.390 ( -1.087 0.385 -0.554) 1.279 2.933 ( -11.255 9.655 -0.730) 14.847 3.785 ( -0.555 -3.786 0.744) 3.898 6.088 ( -4.192 -0.605 0.531) 4.269 6.157 ( -3.681 -0.828 0.720) 3.841 6.506 ( 2.201 1.415 -0.013) 2.617 6.828 ( -0.761 10.498 -0.134) 10.526 7.125 ( 0.145 -2.069 -0.649) 2.173 8.048 ( 4.091 -4.124 0.752) 5.857======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( -7.904 0.222 0.435) 7.919 1.894 ( -2.000 -0.097 0.406) 2.043 2.062 ( -0.727 -1.343 0.960) 1.804 2.357 ( -3.510 -0.022 -0.927) 3.631 2.821 ( -8.549 3.897 -0.737) 9.424 3.693 ( -7.754 -1.990 0.191) 8.008 5.990 ( -7.949 -0.155 0.381) 7.960 6.084 ( -2.593 -1.099 0.595) 2.878 6.513 ( -3.607 2.122 0.597) 4.227 6.966 ( 7.093 6.480 -2.080) 9.830 7.113 ( 1.803 -3.452 0.892) 3.995 8.093 ( 4.470 -1.748 0.802) 4.866======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( -9.108 0.000 0.000) 9.108 1.834 ( -5.571 0.000 0.000) 5.571 2.030 ( -2.713 0.000 0.000) 2.713 2.247 ( -9.445 0.000 0.000) 9.445 2.760 ( -0.204 0.000 0.000) 0.204 3.481 ( -16.342 0.000 0.000) 16.342 5.828 ( -10.659 0.000 0.000) 10.659 6.064 ( 0.480 -0.000 -0.000) 0.480 6.448 ( -4.799 0.000 0.000) 4.799 7.118 ( 1.409 -0.000 -0.000) 1.409 7.161 ( 11.438 -0.000 -0.000) 11.438 8.167 ( 5.120 -0.000 -0.000) 5.120======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.000 4.420 2.910) 5.292 1.667 ( 0.000 13.570 3.157) 13.933 1.895 ( -0.000 11.723 -1.848) 11.868 1.957 ( -0.000 7.193 0.967) 7.258 2.692 ( -0.000 -4.652 -7.353) 8.701 3.037 ( 0.000 23.488 4.809) 23.975 5.591 ( -0.000 9.622 0.536) 9.637 6.171 ( 0.000 -1.254 0.145) 1.262 6.284 ( -0.000 -1.545 -0.453) 1.610 6.901 ( -0.000 -1.913 -7.829) 8.059 7.534 ( 0.000 -11.385 2.193) 11.594 8.360 ( -0.000 -2.553 -0.488) 2.599======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -0.039 3.633 1.591) 3.966 1.797 ( 0.506 10.197 1.278) 10.290 1.952 ( -2.239 6.682 -3.039) 7.674 2.103 ( 6.208 9.178 0.500) 11.092 2.638 ( 1.994 -5.692 -3.087) 6.775 3.305 ( 3.459 21.445 3.215) 21.959 5.709 ( 2.780 9.544 0.522) 9.954 6.135 ( -3.056 0.255 -0.607) 3.126 6.310 ( 3.629 0.138 -0.529) 3.670 6.874 ( 2.441 -4.187 -5.656) 7.449 7.414 ( -2.365 -10.037 1.520) 10.423 8.303 ( -3.644 -2.204 -0.703) 4.316======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 2.259 4.449 1.971) 5.365 1.883 ( -0.178 6.332 0.844) 6.391 1.955 ( -0.981 3.027 -5.572) 6.417 2.303 ( 5.680 8.555 2.058) 10.473 2.651 ( 5.683 -2.611 -0.550) 6.278 3.553 ( 3.401 15.296 1.735) 15.765 5.865 ( 4.476 9.118 0.839) 10.192 6.089 ( -2.947 1.880 -1.081) 3.659 6.385 ( 4.094 1.615 -1.925) 4.803 6.870 ( 4.317 -5.565 -3.092) 7.692 7.279 ( -3.668 -7.645 1.227) 8.568 8.200 ( -5.749 -1.793 -1.088) 6.120======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 3.547 5.522 2.437) 7.001 1.912 ( -0.384 0.891 0.605) 1.144 1.970 ( 0.435 3.975 -4.444) 5.978 2.425 ( 1.556 2.396 3.057) 4.185 2.796 ( 9.718 5.393 -0.392) 11.122 3.706 ( 0.914 7.700 0.360) 7.763 6.016 ( 2.900 6.924 0.784) 7.547 6.082 ( -0.210 4.059 -0.634) 4.113 6.444 ( 2.017 0.410 -3.744) 4.273 6.905 ( 5.789 -3.238 -0.626) 6.663 7.160 ( -3.610 -4.420 1.180) 5.827 8.082 ( -5.438 -2.008 -1.294) 5.940======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 2.180 6.367 1.819) 6.971 1.910 ( -0.126 -0.307 0.227) 0.402 2.005 ( 1.396 1.373 -1.754) 2.629 2.444 ( -0.401 -0.669 2.078) 2.220 3.033 ( 7.734 11.357 -0.072) 13.741 3.736 ( -1.237 -0.290 -0.353) 1.319 6.092 ( 1.454 4.262 0.573) 4.540 6.154 ( 1.491 4.621 0.017) 4.856 6.433 ( -0.122 -2.826 -3.744) 4.692 6.976 ( 0.987 3.301 0.436) 3.473 7.100 ( 0.670 -1.790 1.022) 2.167 7.981 ( -2.819 -3.404 -1.133) 4.563======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -1.439 6.668 0.949) 6.887 1.904 ( -0.265 -0.386 0.074) 0.474 2.025 ( 2.091 -2.742 -0.595) 3.500 2.428 ( -0.980 -0.493 0.891) 1.413 3.229 ( -1.326 14.967 -0.151) 15.027 3.688 ( 1.662 -7.431 -0.038) 7.614 6.158 ( 1.094 1.396 0.583) 1.867 6.197 ( -0.243 3.922 0.492) 3.960 6.393 ( 1.238 -3.636 -2.605) 4.641 6.988 ( -4.414 7.028 1.344) 8.408 7.132 ( 1.497 0.054 -0.397) 1.549 7.925 ( 1.373 -4.567 -0.493) 4.795======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( -6.186 3.545 0.504) 7.148 1.901 ( 0.341 -0.178 -0.070) 0.391 2.030 ( 2.413 -2.858 -0.418) 3.763 2.411 ( -1.039 0.123 0.182) 1.062 3.223 ( -12.427 8.476 -0.384) 15.047 3.698 ( 6.149 -4.794 0.428) 7.809 6.135 ( -2.710 -0.691 -0.098) 2.799 6.217 ( -2.416 1.433 0.898) 2.949 6.426 ( 5.844 -0.769 -1.016) 5.981 6.992 ( -4.722 8.337 1.583) 9.711 7.110 ( -1.729 -2.980 -1.425) 3.728 7.939 ( 4.443 -2.919 0.123) 5.317======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -7.879 0.000 0.000) 7.879 1.906 ( 0.127 -0.000 -0.000) 0.127 2.049 ( 1.313 -0.000 -0.000) 1.313 2.392 ( -1.431 0.000 0.000) 1.431 3.034 ( -13.342 0.000 0.000) 13.342 3.743 ( 0.512 -0.000 -0.000) 0.512 6.079 ( -3.498 0.000 0.000) 3.498 6.155 ( -5.273 0.000 0.000) 5.273 6.520 ( 4.118 -0.000 -0.000) 4.118 6.968 ( -3.149 0.000 0.000) 3.149 7.072 ( 0.774 -0.000 -0.000) 0.774 8.006 ( 4.831 -0.000 -0.000) 4.831======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( -0.000 1.271 -1.025) 1.633 1.887 ( 0.000 7.760 1.704) 7.945 2.027 ( -0.000 1.405 -6.920) 7.061 2.123 ( -0.000 11.236 0.363) 11.242 2.560 ( 0.000 -5.398 1.066) 5.502 3.491 ( -0.000 19.779 2.850) 19.983 5.769 ( -0.000 8.152 -0.303) 8.157 6.178 ( -0.000 2.110 -1.420) 2.543 6.272 ( 0.000 0.493 0.299) 0.576 6.796 ( -0.000 -5.070 -3.541) 6.184 7.340 ( 0.000 -9.313 0.293) 9.317 8.315 ( -0.000 -1.672 -0.337) 1.706======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 2.605 1.431 -0.796) 3.077 1.938 ( -0.864 1.511 0.610) 1.844 1.991 ( -1.396 3.344 -7.760) 8.565 2.288 ( 6.162 8.875 0.500) 10.816 2.544 ( 2.716 -3.653 3.251) 5.594 3.678 ( 0.665 15.199 2.021) 15.347 5.873 ( 3.808 6.912 -0.396) 7.902 6.162 ( -3.159 2.955 -1.744) 4.664 6.324 ( 3.806 1.552 -0.698) 4.169 6.755 ( 2.064 -5.531 -0.903) 5.972 7.245 ( -1.263 -7.573 -0.382) 7.687 8.268 ( -3.775 -1.067 -0.407) 3.944======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 5.377 2.384 0.586) 5.911 1.911 ( -0.122 -1.684 -2.551) 3.059 2.009 ( -0.676 4.247 -2.637) 5.045 2.436 ( 1.642 3.476 2.732) 4.716 2.640 ( 11.159 1.375 0.607) 11.260 3.799 ( -1.230 9.264 0.905) 9.389 6.015 ( 5.136 5.908 0.035) 7.828 6.141 ( -2.334 3.742 -1.272) 4.590 6.391 ( 2.900 0.174 -2.581) 3.886 6.766 ( 5.408 -4.157 1.213) 6.928 7.158 ( -1.555 -4.917 -0.520) 5.183 8.172 ( -6.329 -0.637 -0.618) 6.391======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 6.155 3.016 1.148) 6.950 1.899 ( 0.623 -0.984 -0.772) 1.397 2.022 ( -0.934 2.220 -1.265) 2.721 2.455 ( -0.795 -0.012 2.039) 2.189 2.906 ( 15.194 4.910 -0.115) 15.968 3.811 ( -4.835 3.306 0.012) 5.857 6.122 ( 0.948 4.286 0.412) 4.409 6.168 ( 1.631 3.756 -0.488) 4.124 6.394 ( 0.032 -2.766 -2.768) 3.913 6.876 ( 9.678 -0.651 1.232) 9.778 7.101 ( -1.128 -1.800 -0.113) 2.128 8.048 ( -7.120 -0.906 -0.731) 7.214======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 4.931 3.225 0.546) 5.917 1.900 ( 0.320 -0.487 0.086) 0.589 2.006 ( -2.082 -0.482 -0.240) 2.151 2.441 ( -0.921 -0.295 0.640) 1.160 3.214 ( 14.799 5.886 0.092) 15.927 3.703 ( -8.672 -1.841 -0.283) 8.870 6.166 ( 0.397 2.223 0.743) 2.377 6.228 ( 1.618 3.440 -0.026) 3.801 6.341 ( -1.053 -4.159 -1.848) 4.671 7.043 ( 7.267 2.014 0.045) 7.541 7.084 ( 0.244 -0.206 0.612) 0.690 7.926 ( -5.217 -1.506 -0.503) 5.453======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -0.023 0.000 0.000) 0.023 1.932 ( -5.315 0.000 0.000) 5.315 1.952 ( 4.503 -0.000 -0.000) 4.503 2.426 ( -0.752 0.000 0.000) 0.752 3.494 ( -12.964 0.000 0.000) 12.964 3.496 ( 13.169 -0.000 -0.000) 13.169 6.168 ( -1.351 0.000 0.000) 1.351 6.269 ( -2.378 0.000 0.000) 2.378 6.321 ( 5.062 -0.000 -0.000) 5.062 7.076 ( -0.635 0.000 0.000) 0.635 7.126 ( -0.312 0.000 0.000) 0.312 7.873 ( 0.681 -0.000 -0.000) 0.681======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( -0.000 0.497 -1.609) 1.684 1.919 ( -0.000 -4.238 -6.344) 7.629 2.025 ( -0.000 4.162 -3.013) 5.138 2.309 ( -0.000 7.444 0.544) 7.464 2.512 ( 0.000 -2.046 5.169) 5.559 3.815 ( -0.000 12.184 1.765) 12.311 5.887 ( -0.000 4.354 -1.056) 4.480 6.220 ( -0.000 3.255 -3.910) 5.088 6.306 ( 0.000 2.319 0.989) 2.521 6.689 ( 0.000 -4.849 1.562) 5.094 7.184 ( -0.000 -6.377 -1.172) 6.484 8.292 ( -0.000 -0.634 -0.154) 0.653======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( 4.212 0.739 -0.665) 4.328 1.865 ( 0.918 -3.523 -5.210) 6.355 2.048 ( -0.526 2.741 -1.215) 3.044 2.429 ( 5.523 5.287 0.323) 7.653 2.519 ( 2.220 -1.612 3.574) 4.506 3.908 ( -1.140 7.643 1.036) 7.797 5.964 ( 5.159 3.044 -0.746) 6.036 6.211 ( -2.431 2.868 -2.710) 4.635 6.352 ( 1.957 1.447 -0.527) 2.490 6.671 ( 2.109 -3.438 2.615) 4.807 7.124 ( -0.326 -4.210 -1.178) 4.384 8.255 ( -3.777 -0.248 -0.169) 3.789======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 6.992 0.960 0.318) 7.064 1.860 ( 2.167 -1.370 -1.828) 3.149 2.053 ( -0.898 1.273 -0.592) 1.666 2.481 ( -1.188 0.495 1.418) 1.915 2.678 ( 14.173 1.403 0.125) 14.243 3.921 ( -3.795 3.057 0.302) 4.882 6.093 ( 6.326 2.133 -0.117) 6.677 6.194 ( -1.607 1.798 -1.050) 2.631 6.373 ( 0.063 -0.466 -0.913) 1.027 6.722 ( 6.628 -1.385 1.433) 6.921 7.091 ( 0.003 -1.604 -0.551) 1.696 8.164 ( -6.674 -0.086 -0.204) 6.677======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 7.151 -0.000 -0.000) 7.151 1.885 ( 1.433 -0.000 -0.000) 1.433 2.039 ( -1.490 0.000 0.000) 1.490 2.460 ( -1.417 0.000 0.000) 1.417 2.956 ( 17.255 -0.000 -0.000) 17.255 3.842 ( -7.259 0.000 0.000) 7.259 6.183 ( -0.596 0.000 0.000) 0.596 6.193 ( 4.027 -0.000 -0.000) 4.027 6.350 ( -1.858 0.000 0.000) 1.858 6.874 ( 11.166 -0.000 -0.000) 11.166 7.086 ( 0.139 -0.000 -0.000) 0.139 8.038 ( -7.911 0.000 0.000) 7.911======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( -0.000 0.147 -0.684) 0.700 1.809 ( -0.000 -2.556 -3.575) 4.394 2.070 ( -0.000 1.294 -0.482) 1.381 2.409 ( -0.000 2.579 0.209) 2.588 2.512 ( 0.000 -0.495 2.223) 2.277 3.978 ( -0.000 4.049 0.599) 4.093 5.933 ( -0.000 1.173 -0.563) 1.301 6.247 ( -0.000 1.390 -2.654) 2.996 6.351 ( 0.000 1.336 0.523) 1.435 6.637 ( 0.000 -1.760 2.182) 2.803 7.091 ( -0.000 -2.361 -0.875) 2.518 8.285 ( -0.000 -0.104 -0.035) 0.110======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 4.933 -0.000 -0.000) 4.933 1.809 ( 2.021 -0.000 -0.000) 2.021 2.071 ( -0.542 0.000 0.000) 0.542 2.492 ( 8.202 -0.000 -0.000) 8.202 2.505 ( -0.872 0.000 0.000) 0.872 3.985 ( -1.746 0.000 0.000) 1.746 5.990 ( 5.784 -0.000 -0.000) 5.784 6.232 ( -1.812 0.000 0.000) 1.812 6.367 ( 0.651 -0.000 -0.000) 0.651 6.647 ( 2.124 -0.000 -0.000) 2.124 7.079 ( 0.133 -0.000 -0.000) 0.133 8.253 ( -3.760 0.000 0.000) 3.760======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.175 ( 0.000 -0.000 20.763) 20.763 0.175 ( 0.000 -0.000 20.763) 20.763 0.349 ( 0.000 -0.000 41.374) 41.374 1.664 ( -0.000 0.000 -1.640) 1.640 1.664 ( -0.000 0.000 -1.640) 1.640 3.603 ( -0.000 0.000 -5.104) 5.104 5.156 ( 0.000 -0.000 0.589) 0.589 5.156 ( 0.000 -0.000 0.589) 0.589 6.446 ( -0.000 0.000 -0.329) 0.329 6.446 ( -0.000 0.000 -0.329) 0.329 8.302 ( 0.000 -0.000 0.820) 0.820 8.587 ( -0.000 0.000 -0.279) 0.279======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.354 ( 13.790 7.962 4.123) 16.449 0.423 ( 11.225 6.481 13.975) 19.060 0.923 ( 28.796 16.625 21.304) 39.490 1.685 ( 1.744 1.007 -0.978) 2.239 1.728 ( 6.107 3.526 -3.469) 7.859 3.109 ( -6.517 -3.762 4.206) 8.620 5.186 ( 2.462 1.421 0.779) 2.947 6.407 ( -2.523 -1.457 -1.799) 3.425 6.429 ( -1.360 -0.785 -0.373) 1.614 6.638 ( 28.633 16.531 -48.088) 58.358 8.205 ( -10.392 -6.000 7.158) 13.972 8.425 ( -1.927 -1.113 3.390) 4.055======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( 14.913 8.610 -0.881) 17.243 0.733 ( 13.795 7.964 3.326) 16.273 1.550 ( 19.723 11.387 13.717) 26.586 1.739 ( 3.362 1.941 -0.205) 3.888 1.951 ( 16.716 9.651 -3.581) 19.632 3.018 ( -2.793 -1.613 -1.914) 3.751 5.269 ( 4.818 2.782 0.739) 5.613 6.312 ( -5.116 -2.954 -1.265) 6.041 6.388 ( -2.122 -1.225 -0.349) 2.475 6.939 ( 11.192 6.462 -17.250) 21.555 7.970 ( -11.862 -6.849 6.016) 14.960 8.396 ( -1.925 -1.112 -2.433) 3.296======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.995 ( 12.759 7.367 -2.451) 14.936 1.044 ( 13.895 8.022 -2.806) 16.288 1.838 ( 5.518 3.186 0.589) 6.399 1.845 ( 7.410 4.278 3.167) 9.124 2.433 ( 22.407 12.937 -0.440) 25.877 2.981 ( 0.531 0.306 0.869) 1.063 5.402 ( 6.855 3.958 0.441) 7.928 6.186 ( -5.432 -3.136 -2.007) 6.585 6.339 ( -1.991 -1.150 -0.204) 2.309 7.101 ( 6.493 3.748 -6.457) 9.894 7.711 ( -12.606 -7.278 3.891) 15.067 8.323 ( -3.413 -1.971 -4.024) 5.633======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 8.919 5.149 -2.854) 10.687 1.333 ( 13.042 7.530 -5.965) 16.198 1.967 ( 3.799 2.193 -0.692) 4.441 1.988 ( 7.549 4.358 1.018) 8.776 2.743 ( 4.150 2.396 -2.560) 5.433 3.154 ( 14.678 8.474 5.954) 17.964 5.571 ( 7.973 4.603 -0.053) 9.207 6.078 ( -3.214 -1.855 -2.911) 4.716 6.303 ( -1.141 -0.658 0.103) 1.321 7.190 ( 2.443 1.411 -2.075) 3.502 7.429 ( -13.346 -7.706 1.757) 15.511 8.241 ( -2.528 -1.460 -3.649) 4.673======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 5.398 3.117 -2.439) 6.693 1.591 ( 11.623 6.711 -6.804) 15.047 2.028 ( 2.266 1.308 -1.760) 3.153 2.165 ( 7.663 4.424 0.898) 8.894 2.733 ( -3.363 -1.941 1.817) 4.287 3.507 ( 13.762 7.945 3.233) 16.216 5.746 ( 7.499 4.329 -0.636) 8.682 6.042 ( 1.066 0.615 -3.442) 3.655 6.291 ( -0.083 -0.048 0.566) 0.574 7.127 ( -13.874 -8.010 1.914) 16.135 7.204 ( -0.500 -0.289 -2.503) 2.568 8.202 ( -0.275 -0.159 -1.917) 1.943======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 2.987 1.725 -1.685) 3.839 1.807 ( 8.969 5.178 -5.992) 11.965 2.076 ( 3.013 1.740 -2.080) 4.054 2.317 ( 5.456 3.150 0.573) 6.326 2.624 ( -6.854 -3.957 3.922) 8.832 3.759 ( 8.088 4.670 1.661) 9.486 5.889 ( 5.302 3.061 -1.058) 6.213 6.110 ( 5.772 3.332 -3.270) 7.424 6.299 ( 0.512 0.296 0.969) 1.135 6.825 ( -13.260 -7.656 0.868) 15.336 7.175 ( -1.251 -0.723 -1.282) 1.932 8.209 ( 0.871 0.503 -0.376) 1.074======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 1.215 0.701 -0.850) 1.640 1.936 ( 3.529 2.038 -2.880) 4.990 2.171 ( 6.260 3.614 -4.318) 8.420 2.402 ( 1.871 1.080 0.263) 2.176 2.464 ( -7.953 -4.591 4.483) 10.219 3.880 ( 2.513 1.451 1.228) 3.151 5.970 ( 2.131 1.230 -0.892) 2.617 6.275 ( 9.552 5.515 -2.714) 11.359 6.311 ( 0.099 0.057 0.870) 0.878 6.550 ( -11.467 -6.621 2.026) 13.395 7.152 ( -0.361 -0.209 -0.820) 0.920 8.226 ( 0.528 0.305 0.394) 0.726======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -0.357 -0.206 0.085) 0.421 1.962 ( -0.658 -0.380 0.307) 0.819 2.233 ( -4.195 -2.422 1.380) 5.037 2.389 ( 4.731 2.732 -3.030) 6.247 2.399 ( -2.164 -1.249 -0.057) 2.499 3.878 ( -3.038 -1.754 1.015) 3.652 5.977 ( -1.416 -0.818 -0.108) 1.639 6.304 ( -0.747 -0.431 0.184) 0.882 6.327 ( -8.709 -5.028 3.155) 10.540 6.514 ( 11.839 6.835 -2.055) 13.824 7.158 ( 1.013 0.585 -0.206) 1.188 8.231 ( -0.200 -0.116 0.951) 0.979======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -2.052 -1.185 1.278) 2.692 1.898 ( -6.071 -3.505 4.189) 8.166 2.124 ( -4.283 -2.473 3.509) 6.064 2.308 ( -5.830 -3.366 -0.517) 6.751 2.535 ( 7.765 4.483 -6.357) 10.991 3.745 ( -9.240 -5.335 0.115) 10.670 5.904 ( -5.154 -2.975 0.627) 5.984 6.176 ( -5.532 -3.194 4.321) 7.712 6.286 ( -0.644 -0.372 -0.490) 0.891 6.784 ( 12.532 7.235 -3.720) 14.941 7.197 ( 2.388 1.379 1.050) 2.951 8.230 ( -0.091 -0.053 1.954) 1.957======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( -4.403 -2.542 2.973) 5.889 1.723 ( -10.640 -6.143 7.954) 14.637 2.057 ( -3.199 -1.847 1.731) 4.079 2.146 ( -8.104 -4.679 -1.296) 9.447 2.680 ( 6.484 3.744 -4.448) 8.709 3.461 ( -15.916 -9.189 -1.802) 18.466 5.758 ( -7.795 -4.501 0.759) 9.033 6.108 ( -1.555 -0.898 4.085) 4.462 6.280 ( 0.319 0.184 -0.643) 0.741 7.023 ( 9.320 5.381 -7.728) 13.250 7.279 ( 4.954 2.860 3.955) 6.955 8.249 ( 1.349 0.779 3.318) 3.665======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( -8.244 -4.760 5.271) 10.881 1.477 ( -13.641 -7.876 9.916) 18.613 1.958 ( -7.701 -4.446 -2.389) 9.208 1.962 ( -5.851 -3.378 -1.010) 6.831 2.786 ( 1.682 0.971 1.816) 2.659 3.043 ( -18.446 -10.650 -6.168) 22.174 5.576 ( -8.376 -4.836 0.515) 9.685 6.128 ( 2.297 1.326 2.814) 3.867 6.298 ( 1.420 0.820 -0.499) 1.714 7.124 ( 2.102 1.213 -8.019) 8.378 7.459 ( 9.576 5.529 3.603) 11.629 8.309 ( 2.945 1.700 3.924) 5.192======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( -12.908 -7.452 7.534) 16.701 1.172 ( -16.124 -9.309 10.701) 21.475 1.767 ( -11.673 -6.739 -4.629) 14.251 1.807 ( -4.981 -2.876 -3.036) 6.503 2.454 ( -23.792 -13.736 1.414) 27.508 2.946 ( 4.019 2.321 -2.998) 5.525 5.401 ( -7.182 -4.147 0.253) 8.297 6.215 ( 4.594 2.653 1.254) 5.451 6.338 ( 2.196 1.268 -0.341) 2.559 7.106 ( -1.432 -0.827 -5.913) 6.140 7.695 ( 10.509 6.067 1.971) 12.293 8.387 ( 2.749 1.587 3.062) 4.410======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.782 ( -15.845 -9.148 9.552) 20.639 0.825 ( -17.560 -10.139 11.282) 23.204 1.360 ( -24.080 -13.903 -6.392) 28.530 1.717 ( -2.489 -1.437 -2.802) 4.014 1.998 ( -15.640 -9.030 1.574) 18.127 3.024 ( 3.152 1.820 -0.949) 3.761 5.264 ( -4.986 -2.879 0.172) 5.760 6.324 ( 4.687 2.706 0.027) 5.412 6.388 ( 2.241 1.294 -0.266) 2.601 7.038 ( -2.915 -1.683 -7.873) 8.563 7.932 ( 10.104 5.833 2.571) 11.947 8.433 ( 0.459 0.265 1.573) 1.659======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 0.000 22.441 5.555) 23.119 0.570 ( 0.000 17.188 15.694) 23.275 0.858 ( 0.000 23.861 25.706) 35.074 1.648 ( -0.000 0.489 -3.939) 3.970 1.750 ( -0.000 8.695 -1.671) 8.855 3.121 ( 0.000 -9.695 3.578) 10.334 5.186 ( 0.000 2.815 0.831) 2.935 6.378 ( -0.000 6.182 -13.593) 14.933 6.426 ( -0.000 -1.659 -0.550) 1.748 6.510 ( -0.000 29.424 -35.440) 46.062 8.223 ( 0.000 -10.876 5.608) 12.237 8.450 ( 0.000 -2.510 3.597) 4.386======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( -3.008 15.949 15.582) 22.499 0.789 ( 3.635 22.345 0.795) 22.652 1.383 ( 19.856 17.695 16.840) 31.479 1.681 ( 4.061 1.094 -3.792) 5.663 1.886 ( 5.048 14.315 -2.362) 15.361 3.027 ( -2.108 -4.428 -2.485) 5.498 5.244 ( 2.464 4.195 0.953) 4.957 6.339 ( -2.503 -4.206 -1.497) 5.118 6.399 ( -0.878 -1.863 -0.554) 2.133 6.771 ( 10.809 14.256 -24.705) 30.503 8.063 ( -6.891 -11.452 6.445) 14.838 8.421 ( -2.284 -0.328 -0.936) 2.491======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 5.098 11.982 8.946) 15.799 1.063 ( 4.827 19.884 -2.856) 20.660 1.749 ( 7.502 3.316 0.899) 8.251 1.802 ( 6.993 6.282 3.621) 10.073 2.250 ( 17.235 20.263 0.012) 26.602 2.965 ( 0.066 -2.215 -2.213) 3.132 5.354 ( 4.638 5.557 0.900) 7.294 6.229 ( -4.566 -4.476 -1.589) 6.589 6.362 ( -1.543 -1.008 -0.486) 1.907 6.981 ( 9.192 5.452 -11.950) 16.032 7.832 ( -9.856 -10.231 5.309) 15.166 8.355 ( -3.749 -1.614 -3.169) 5.168======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 7.867 8.219 3.250) 11.832 1.311 ( 4.958 16.380 -4.865) 17.792 1.888 ( 6.512 2.525 -1.357) 7.115 1.960 ( 4.345 6.530 1.573) 7.999 2.667 ( 9.861 9.726 -3.266) 14.230 3.037 ( 9.619 5.630 4.460) 12.005 5.508 ( 6.195 6.688 0.619) 9.137 6.108 ( -4.160 -3.325 -2.254) 5.782 6.330 ( -1.651 0.541 -0.421) 1.788 7.117 ( 6.134 1.160 -6.211) 8.806 7.570 ( -11.763 -9.243 4.081) 15.507 8.260 ( -3.493 -2.374 -3.578) 5.535======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 6.528 5.683 0.233) 8.658 1.523 ( 5.699 12.607 -5.515) 14.894 1.983 ( 3.604 0.761 -1.933) 4.160 2.120 ( 5.647 8.251 1.056) 10.054 2.755 ( -0.213 -0.031 -0.721) 0.752 3.368 ( 14.321 10.145 3.943) 17.988 5.684 ( 6.439 7.138 0.139) 9.614 6.032 ( -1.142 -1.030 -2.730) 3.133 6.317 ( -1.327 2.138 -0.222) 2.526 7.167 ( 1.828 -1.888 -6.273) 6.802 7.289 ( -12.585 -7.619 4.871) 15.497 8.191 ( -0.851 -2.176 -2.335) 3.303======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 3.345 4.522 -0.793) 5.681 1.718 ( 6.833 8.741 -5.284) 12.289 2.034 ( 2.883 0.530 -1.834) 3.458 2.290 ( 4.516 7.628 0.994) 8.920 2.705 ( -4.667 -1.676 1.951) 5.329 3.664 ( 10.042 6.393 2.084) 12.085 5.849 ( 4.957 6.549 -0.437) 8.225 6.045 ( 3.445 1.600 -2.630) 4.620 6.324 ( -0.965 3.122 0.079) 3.269 6.977 ( -12.744 -7.139 -1.162) 14.654 7.178 ( -0.818 -1.563 -0.173) 1.773 8.176 ( 1.721 -1.929 -0.669) 2.671======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( 0.863 3.700 -0.813) 3.886 1.874 ( 5.294 4.085 -4.124) 7.857 2.097 ( 4.493 1.781 -2.479) 5.432 2.406 ( 1.406 4.429 1.317) 4.829 2.591 ( -7.928 -0.001 2.329) 8.263 3.838 ( 5.176 2.357 1.527) 5.888 5.965 ( 2.193 5.211 -0.740) 5.702 6.156 ( 7.383 2.708 -1.928) 8.096 6.343 ( -0.702 3.679 0.014) 3.745 6.702 ( -12.457 -5.093 0.962) 13.492 7.152 ( -0.484 -0.796 -1.013) 1.377 8.193 ( 2.369 -2.154 0.313) 3.217======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( -0.906 2.680 -0.342) 2.849 1.944 ( 2.038 0.109 -1.502) 2.534 2.191 ( 4.706 0.355 -3.856) 6.094 2.400 ( -3.361 -2.021 2.853) 4.850 2.508 ( -6.086 7.816 -0.070) 9.906 3.894 ( 0.201 -0.901 1.530) 1.787 6.014 ( -1.302 3.390 -0.410) 3.654 6.266 ( 2.745 -2.731 0.103) 3.874 6.414 ( 4.649 6.589 -2.354) 8.400 6.487 ( -8.841 -0.041 3.161) 9.389 7.145 ( 0.532 -0.006 -0.786) 0.950 8.208 ( 1.785 -2.576 0.822) 3.240======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( -2.394 1.160 0.482) 2.704 1.942 ( -1.432 -1.905 1.121) 2.634 2.171 ( -3.099 -3.941 1.680) 5.287 2.366 ( -1.844 -0.600 -1.046) 2.203 2.511 ( -1.590 9.086 -3.115) 9.736 3.832 ( -5.728 -3.592 1.133) 6.855 5.981 ( -5.018 0.786 0.333) 5.090 6.211 ( -2.953 -5.395 1.973) 6.459 6.361 ( -5.582 3.122 1.402) 6.547 6.652 ( 10.722 8.359 -2.623) 13.846 7.167 ( 2.048 0.314 -0.014) 2.072 8.211 ( 1.424 -2.619 1.492) 3.334======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( -3.975 -1.376 1.875) 4.605 1.855 ( -6.957 -2.932 4.384) 8.731 2.094 ( -2.909 -2.463 2.340) 4.473 2.261 ( -8.538 -1.206 -0.778) 8.657 2.610 ( 4.606 6.226 -5.090) 9.267 3.632 ( -12.975 -6.057 -0.060) 14.319 5.865 ( -8.224 -1.676 0.710) 8.423 6.128 ( -1.966 -3.446 3.113) 5.043 6.325 ( -3.385 3.769 0.261) 5.072 6.900 ( 10.266 7.301 -5.652) 13.808 7.223 ( 4.261 0.292 1.986) 4.710 8.223 ( 2.226 -1.812 2.483) 3.795======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( -6.473 -5.524 4.185) 9.483 1.693 ( -11.516 -1.264 6.427) 13.249 2.017 ( -4.448 -2.780 -0.263) 5.251 2.079 ( -10.484 -1.562 -0.833) 10.633 2.736 ( 5.692 4.014 -2.776) 7.498 3.279 ( -20.443 -8.082 -1.774) 22.054 5.691 ( -9.655 -2.896 0.646) 10.101 6.107 ( 1.218 -1.037 2.546) 3.007 6.317 ( -1.630 3.257 -0.149) 3.645 7.067 ( 4.693 4.026 -8.421) 10.448 7.348 ( 8.925 1.627 4.008) 9.918 8.270 ( 3.731 -0.505 3.023) 4.828======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( -10.412 -9.951 6.778) 15.918 1.481 ( -15.887 0.687 6.491) 17.175 1.870 ( -8.281 -3.294 -3.969) 9.756 1.902 ( -8.990 -1.362 -0.086) 9.093 2.775 ( -22.936 -5.763 3.998) 23.985 2.880 ( 2.235 -0.003 -6.722) 7.084 5.505 ( -9.133 -2.716 0.471) 9.540 6.158 ( 4.212 0.504 1.193) 4.406 6.332 ( 0.234 2.265 -0.253) 2.291 7.102 ( -0.126 1.253 -6.969) 7.082 7.557 ( 11.610 2.627 2.804) 12.229 8.346 ( 4.222 0.109 2.235) 4.778======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( -13.719 -11.169 8.556) 19.651 1.197 ( -20.024 -0.906 3.560) 20.358 1.633 ( -17.025 -2.564 -0.168) 17.218 1.769 ( -5.476 0.362 -2.280) 5.943 2.270 ( -25.110 -5.470 0.310) 25.701 2.969 ( 4.626 1.325 -1.689) 5.099 5.346 ( -7.290 -1.556 0.397) 7.465 6.252 ( 5.675 0.743 -0.033) 5.723 6.364 ( 1.665 1.115 -0.272) 2.022 7.064 ( -3.084 0.794 -7.386) 8.043 7.787 ( 12.143 1.863 2.863) 12.614 8.410 ( 2.762 -0.427 0.515) 2.842======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( 0.000 20.664 4.688) 21.189 0.977 ( 0.000 16.120 12.778) 20.570 1.430 ( 0.000 21.035 14.933) 25.797 1.643 ( -0.000 2.193 -6.025) 6.411 2.000 ( -0.000 18.824 -1.163) 18.859 2.984 ( -0.000 -5.405 -4.085) 6.775 5.274 ( -0.000 5.749 0.953) 5.828 6.313 ( -0.000 -4.396 -1.232) 4.566 6.380 ( -0.000 -2.647 -0.690) 2.736 6.760 ( -0.000 13.708 -20.510) 24.669 8.013 ( 0.000 -13.290 5.473) 14.373 8.437 ( -0.000 -0.764 -1.146) 1.378======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -5.280 14.835 13.500) 20.741 1.207 ( 1.654 20.131 -0.698) 20.211 1.678 ( 4.512 4.616 -1.906) 6.730 1.752 ( 8.596 9.980 5.649) 14.332 2.264 ( 7.232 24.249 -0.719) 25.315 2.923 ( 0.320 -4.009 -3.740) 5.491 5.359 ( 2.370 7.113 1.054) 7.571 6.242 ( -2.774 -4.704 -1.008) 5.554 6.357 ( 0.285 -2.009 -0.628) 2.124 6.872 ( 5.863 7.045 -13.397) 16.233 7.858 ( -4.720 -12.648 4.753) 14.312 8.394 ( -3.159 -1.528 -2.300) 4.196======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( -1.288 12.206 9.614) 15.591 1.411 ( 1.729 17.415 -3.724) 17.893 1.805 ( 6.161 4.232 -2.429) 7.860 1.957 ( 5.074 7.362 2.623) 9.319 2.620 ( 8.024 14.872 -4.385) 17.458 2.956 ( 6.983 4.420 2.953) 8.776 5.495 ( 4.383 8.348 1.177) 9.502 6.137 ( -3.967 -3.767 -1.575) 5.693 6.348 ( 0.092 -0.013 -0.810) 0.815 6.993 ( 6.869 1.352 -8.177) 10.764 7.649 ( -7.767 -11.105 4.194) 14.186 8.298 ( -4.733 -2.360 -3.055) 6.107======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 1.849 9.434 5.530) 11.091 1.580 ( 1.871 13.910 -4.663) 14.790 1.920 ( 4.267 1.745 -2.054) 5.046 2.124 ( 5.124 9.446 1.271) 10.821 2.739 ( 2.017 1.154 -3.041) 3.827 3.258 ( 12.853 12.912 3.936) 18.639 5.667 ( 5.360 9.075 1.105) 10.598 6.045 ( -2.756 -1.706 -2.023) 3.821 6.355 ( -0.250 2.365 -1.182) 2.656 7.070 ( 4.949 -2.344 -6.166) 8.247 7.415 ( -9.825 -8.858 4.157) 13.866 8.191 ( -3.397 -2.861 -2.707) 5.201======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 2.256 7.599 2.786) 8.402 1.722 ( 2.620 10.424 -4.018) 11.475 1.979 ( 3.116 0.074 -2.076) 3.745 2.305 ( 4.393 9.293 1.614) 10.405 2.751 ( -0.867 0.647 -0.107) 1.087 3.568 ( 10.142 8.410 1.860) 13.306 5.843 ( 4.685 8.598 0.751) 9.820 6.016 ( 0.743 0.931 -1.920) 2.260 6.375 ( -0.684 3.962 -1.475) 4.283 7.051 ( -2.803 -5.165 -5.687) 8.178 7.207 ( -6.341 -4.340 4.228) 8.771 8.127 ( 0.089 -3.311 -1.423) 3.605======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 0.499 6.481 0.981) 6.574 1.841 ( 2.881 5.865 -2.844) 7.127 2.033 ( 3.961 0.658 -1.879) 4.433 2.431 ( 1.494 4.115 2.260) 4.927 2.730 ( -4.626 5.541 0.154) 7.220 3.766 ( 6.604 2.924 1.143) 7.312 5.981 ( 2.878 6.676 0.279) 7.275 6.078 ( 4.466 2.988 -1.282) 5.524 6.396 ( -1.007 4.079 -1.696) 4.531 6.860 ( -10.812 -3.655 -0.414) 11.420 7.148 ( -0.477 -1.258 -0.087) 1.348 8.117 ( 2.776 -3.978 -0.242) 4.857======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( -1.538 5.423 0.283) 5.644 1.908 ( 1.968 1.193 -1.736) 2.883 2.110 ( 4.419 0.718 -2.529) 5.142 2.437 ( -2.220 -1.732 2.676) 3.884 2.719 ( -6.929 11.955 -0.548) 13.828 3.859 ( 3.258 -1.106 1.351) 3.696 6.069 ( 0.142 5.178 0.257) 5.186 6.182 ( 4.883 0.496 -0.426) 4.927 6.419 ( 0.654 3.677 -2.361) 4.418 6.669 ( -10.391 1.969 2.176) 10.798 7.138 ( 0.050 -0.101 -0.976) 0.982 8.129 ( 3.409 -4.580 0.428) 5.726======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( -3.381 3.742 0.379) 5.057 1.929 ( 0.881 -0.923 -0.423) 1.344 2.148 ( 1.321 -2.706 -1.910) 3.566 2.388 ( -1.965 -0.465 1.235) 2.366 2.708 ( -8.338 12.146 -1.034) 14.769 3.862 ( -1.086 -3.275 1.445) 3.741 6.076 ( -3.773 2.360 0.588) 4.489 6.203 ( -0.823 -3.387 0.660) 3.547 6.467 ( -0.432 2.092 -1.221) 2.460 6.621 ( -0.121 9.932 0.892) 9.973 7.141 ( 0.865 -0.147 -0.795) 1.184 8.141 ( 3.083 -4.631 0.925) 5.640======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -5.097 0.951 1.084) 5.298 1.912 ( -1.858 -1.592 1.111) 2.687 2.109 ( -1.338 -3.083 0.396) 3.384 2.355 ( -3.164 -0.112 -0.418) 3.193 2.681 ( -5.905 9.309 -2.221) 11.245 3.759 ( -7.518 -4.187 0.868) 8.649 5.995 ( -7.408 0.095 0.880) 7.460 6.133 ( -2.400 -3.625 1.372) 4.559 6.445 ( -4.745 4.480 0.502) 6.545 6.801 ( 8.392 8.657 -3.071) 12.442 7.163 ( 2.667 -1.098 0.439) 2.918 8.155 ( 3.284 -3.744 1.441) 5.184======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -7.004 -2.387 2.452) 7.796 1.840 ( -5.853 -0.756 2.293) 6.331 2.053 ( -2.732 -2.204 -0.384) 3.531 2.248 ( -9.355 -0.092 0.394) 9.364 2.703 ( 1.149 5.168 -2.658) 5.925 3.526 ( -15.651 -4.351 0.078) 16.245 5.842 ( -10.130 -1.179 0.736) 10.225 6.087 ( -0.091 -2.079 1.302) 2.455 6.407 ( -4.522 3.798 0.153) 5.907 7.001 ( 6.834 6.724 -6.439) 11.549 7.224 ( 6.512 -1.838 3.285) 7.522 8.194 ( 4.383 -2.205 1.532) 5.140======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -9.920 -4.504 3.807) 11.541 1.710 ( -10.122 -0.575 1.484) 10.246 1.960 ( -5.802 -1.295 -2.747) 6.549 2.070 ( -11.196 -0.023 1.736) 11.330 2.789 ( 4.948 2.278 -2.178) 5.867 3.159 ( -23.406 -2.985 0.550) 23.602 5.654 ( -10.623 -1.214 0.608) 10.710 6.098 ( 2.758 -0.782 0.275) 2.880 6.373 ( -2.651 1.820 -0.182) 3.221 7.097 ( 1.348 3.545 -5.754) 6.892 7.379 ( 11.557 -0.562 3.185) 12.002 8.263 ( 5.221 -1.163 0.555) 5.378======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( -13.285 -3.323 4.156) 14.311 1.474 ( -15.916 -3.509 -2.739) 16.527 1.836 ( -8.126 1.852 -0.967) 8.390 1.904 ( -9.499 0.580 2.478) 9.834 2.690 ( -25.395 -1.293 -3.027) 25.608 2.906 ( 2.588 2.430 2.263) 4.210 5.480 ( -9.360 -0.161 0.524) 9.376 6.159 ( 5.067 -0.607 -0.777) 5.162 6.357 ( -0.200 0.038 -0.256) 0.327 7.107 ( -1.756 2.750 -4.295) 5.394 7.588 ( 12.810 -1.014 2.446) 13.081 8.336 ( 4.650 -1.278 -1.275) 4.988======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( 0.000 10.128 8.398) 13.157 1.368 ( -0.000 17.876 2.591) 18.063 1.691 ( -0.000 7.373 -5.662) 9.297 1.794 ( 0.000 10.914 7.306) 13.134 2.445 ( -0.000 24.819 -2.396) 24.934 2.870 ( -0.000 -2.976 -2.171) 3.684 5.417 ( -0.000 8.313 0.850) 8.356 6.224 ( 0.000 -3.947 -0.475) 3.976 6.324 ( -0.000 -2.580 -0.653) 2.661 6.851 ( -0.000 5.114 -11.019) 12.148 7.781 ( 0.000 -13.183 3.679) 13.687 8.400 ( -0.000 -1.894 -2.174) 2.884======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -3.033 7.682 6.227) 10.343 1.547 ( 0.777 15.469 -0.874) 15.513 1.782 ( 2.195 8.908 -2.130) 9.418 1.949 ( 4.935 7.470 2.547) 9.308 2.645 ( 2.408 8.853 -7.489) 11.843 2.934 ( 4.923 12.233 5.190) 14.171 5.525 ( 2.532 9.236 0.899) 9.618 6.160 ( -3.028 -2.936 -0.971) 4.328 6.320 ( 1.914 -1.254 -0.684) 2.388 6.890 ( 3.764 1.044 -7.673) 8.610 7.637 ( -3.303 -12.265 2.959) 13.042 8.343 ( -3.611 -2.157 -2.426) 4.856======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( -0.482 7.111 4.893) 8.645 1.685 ( 0.186 12.910 -3.267) 13.318 1.884 ( 2.092 4.162 -1.265) 4.827 2.124 ( 6.151 9.291 0.784) 11.171 2.691 ( 2.854 -0.718 -3.706) 4.732 3.233 ( 8.468 17.509 3.901) 19.836 5.681 ( 4.416 9.844 1.165) 10.852 6.078 ( -3.437 -1.187 -1.534) 3.947 6.352 ( 2.205 1.064 -1.427) 2.834 6.941 ( 5.060 -2.614 -5.158) 7.684 7.460 ( -5.517 -10.298 2.682) 11.987 8.235 ( -5.332 -2.283 -2.487) 6.310======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( 1.440 7.231 4.200) 8.486 1.790 ( 0.350 10.108 -3.305) 10.641 1.930 ( 1.932 0.454 -2.012) 2.826 2.321 ( 5.096 9.022 1.848) 10.525 2.736 ( 3.529 0.809 -0.900) 3.731 3.519 ( 7.222 11.605 1.583) 13.760 5.857 ( 4.554 9.420 1.268) 10.540 6.028 ( -1.554 1.155 -1.499) 2.448 6.398 ( 1.449 2.728 -2.515) 3.984 6.973 ( 3.932 -3.971 -3.803) 6.760 7.279 ( -6.423 -7.197 2.819) 10.050 8.123 ( -3.977 -2.683 -2.010) 5.201======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 0.897 7.286 2.909) 7.897 1.870 ( 0.195 5.920 -1.371) 6.080 1.968 ( 3.480 0.408 -2.246) 4.162 2.444 ( 1.659 2.774 2.501) 4.086 2.827 ( 2.074 8.262 -0.474) 8.532 3.699 ( 4.938 4.188 0.410) 6.488 5.999 ( 2.466 6.181 0.726) 6.694 6.057 ( 2.318 4.445 -0.554) 5.043 6.429 ( 0.150 2.090 -3.285) 3.897 6.956 ( -2.621 -1.572 -1.719) 3.507 7.152 ( -2.533 -3.175 1.876) 4.474 8.049 ( -0.460 -3.860 -1.149) 4.054======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( -1.204 6.978 1.494) 7.237 1.900 ( 0.091 1.361 -0.633) 1.504 2.039 ( 4.130 0.668 -1.612) 4.483 2.455 ( -1.071 -1.533 2.091) 2.805 2.937 ( -2.804 14.335 -0.618) 14.620 3.780 ( 3.960 -2.093 0.519) 4.509 6.095 ( 3.020 4.822 0.842) 5.752 6.138 ( 1.693 3.017 -0.183) 3.465 6.426 ( -0.090 -0.116 -3.253) 3.257 6.867 ( -8.013 4.347 1.374) 9.219 7.131 ( 0.509 -0.311 -0.453) 0.749 8.024 ( 2.720 -5.279 -0.327) 5.948======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( -3.745 5.764 0.916) 6.934 1.908 ( 0.552 -0.300 -0.441) 0.767 2.085 ( 2.490 -2.152 -1.536) 3.632 2.418 ( -1.800 -0.967 1.392) 2.472 2.982 ( -8.511 14.403 -0.795) 16.748 3.807 ( 3.199 -4.875 1.016) 5.919 6.145 ( -2.104 1.148 0.386) 2.427 6.185 ( 1.481 1.176 0.974) 2.127 6.432 ( 2.923 -0.140 -2.789) 4.043 6.810 ( -7.232 9.752 2.119) 12.325 7.132 ( -0.166 -0.201 -1.225) 1.252 8.030 ( 4.123 -5.590 0.254) 6.950======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( -6.176 2.802 0.933) 6.846 1.911 ( 0.325 -0.664 -0.024) 0.739 2.081 ( 0.856 -2.862 -1.040) 3.163 2.391 ( -1.560 0.113 0.676) 1.703 2.927 ( -11.418 9.910 -0.856) 15.143 3.792 ( -0.613 -4.096 0.852) 4.229 6.094 ( -3.894 -0.838 0.813) 4.065 6.163 ( -3.836 -0.970 0.621) 4.005 6.499 ( 3.052 1.792 -1.685) 3.920 6.831 ( -2.127 10.440 0.687) 10.677 7.119 ( 0.667 -2.016 -0.708) 2.239 8.053 ( 4.338 -4.302 0.512) 6.131======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -7.671 -0.270 1.357) 7.795 1.898 ( -1.693 -0.454 0.459) 1.812 2.060 ( -0.636 -1.494 -1.404) 2.147 2.358 ( -3.521 0.170 1.073) 3.685 2.814 ( -8.826 4.572 -0.860) 9.977 3.696 ( -7.865 -2.229 0.345) 8.182 5.994 ( -8.013 -0.523 0.693) 8.060 6.088 ( -2.444 -1.519 0.262) 2.890 6.512 ( -3.330 1.995 -0.879) 3.980 6.946 ( 5.351 7.300 -2.412) 9.367 7.124 ( 3.087 -3.345 1.468) 4.783 8.097 ( 4.616 -2.264 0.241) 5.147======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -8.933 -1.254 1.607) 9.163 1.832 ( -5.811 -1.155 -0.412) 5.939 2.017 ( -2.757 -0.065 -2.901) 4.003 2.257 ( -9.378 0.136 2.095) 9.611 2.758 ( -0.415 1.048 -0.497) 1.232 3.484 ( -16.107 0.162 0.727) 16.124 5.830 ( -10.637 -0.317 0.533) 10.656 6.061 ( 0.414 -0.678 -0.705) 1.062 6.444 ( -4.659 -0.179 -0.807) 4.732 7.091 ( 3.366 5.768 -4.738) 8.188 7.186 ( 9.328 -4.341 4.178) 11.104 8.164 ( 5.059 -0.847 -0.792) 5.190======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( -10.695 0.621 0.943) 10.754 1.660 ( -11.722 -3.316 -4.248) 12.901 1.959 ( -4.531 2.225 -2.165) 5.493 2.086 ( -10.835 0.200 2.733) 11.176 2.787 ( 2.230 -0.810 -2.117) 3.180 3.189 ( -20.944 4.352 3.652) 21.701 5.653 ( -10.548 0.717 0.418) 10.580 6.080 ( 2.801 -0.644 -1.817) 3.400 6.370 ( -2.438 -1.795 -0.523) 3.072 7.144 ( 0.058 3.133 -1.332) 3.404 7.357 ( 12.879 -3.200 1.535) 13.359 8.237 ( 4.872 -0.793 -2.395) 5.486======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -0.000 2.530 0.420) 2.564 1.681 ( -0.000 13.480 0.299) 13.483 1.885 ( -0.000 12.967 -0.459) 12.975 1.962 ( -0.000 4.407 -0.240) 4.414 2.637 ( -0.000 -1.203 -5.512) 5.641 3.082 ( 0.000 21.726 5.529) 22.418 5.595 ( -0.000 9.392 0.332) 9.398 6.166 ( -0.000 -1.342 -1.267) 1.846 6.281 ( -0.000 -1.359 -0.253) 1.383 6.844 ( -0.000 -0.704 -5.613) 5.657 7.551 ( 0.000 -12.083 1.764) 12.211 8.348 ( -0.000 -1.979 -2.086) 2.875======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 1.107 2.455 -0.163) 2.698 1.796 ( -0.307 10.969 -1.594) 11.088 1.930 ( -2.381 4.185 -2.063) 5.238 2.102 ( 6.970 9.386 -0.659) 11.710 2.621 ( 1.993 -2.918 -0.750) 3.613 3.335 ( 3.111 20.387 3.715) 20.955 5.712 ( 3.092 9.264 0.246) 9.770 6.125 ( -3.064 0.163 -1.856) 3.586 6.305 ( 3.157 0.177 -0.695) 3.237 6.836 ( 2.555 -3.020 -3.203) 5.090 7.424 ( -2.114 -10.746 1.019) 10.999 8.292 ( -3.826 -1.635 -1.936) 4.590======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 3.405 3.664 1.255) 5.157 1.875 ( -0.477 8.693 -3.751) 9.480 1.919 ( -0.479 0.344 -1.636) 1.739 2.316 ( 6.503 9.107 1.106) 11.245 2.652 ( 5.017 -1.683 0.891) 5.367 3.568 ( 2.897 14.680 1.743) 15.064 5.871 ( 4.832 8.852 0.548) 10.099 6.077 ( -2.805 1.993 -1.789) 3.879 6.367 ( 3.394 1.317 -2.150) 4.228 6.851 ( 4.336 -4.209 -1.223) 6.165 7.287 ( -3.207 -8.382 0.758) 9.006 8.188 ( -5.935 -1.319 -1.766) 6.332======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 3.990 4.875 2.182) 6.667 1.915 ( 0.409 -0.657 -0.453) 0.897 1.936 ( 0.366 6.262 -3.134) 7.012 2.449 ( 1.542 2.515 2.484) 3.857 2.794 ( 9.552 5.457 -0.003) 11.001 3.709 ( 0.548 7.390 0.228) 7.414 6.022 ( 2.781 6.497 0.473) 7.083 6.076 ( 0.330 4.528 -0.779) 4.606 6.413 ( 1.647 0.193 -3.391) 3.775 6.902 ( 5.563 -1.946 -0.030) 5.894 7.169 ( -3.075 -5.124 0.915) 6.046 8.070 ( -5.492 -1.720 -1.468) 5.940======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 2.043 5.827 1.601) 6.379 1.912 ( -0.149 -0.369 0.208) 0.449 1.991 ( 1.815 2.261 -1.429) 3.232 2.460 ( -0.672 -1.167 1.709) 2.175 3.033 ( 7.695 11.536 -0.073) 13.867 3.733 ( -1.200 -0.454 -0.315) 1.321 6.097 ( 1.719 4.529 0.487) 4.869 6.154 ( 1.476 4.446 0.070) 4.685 6.404 ( -0.042 -2.399 -3.221) 4.017 6.980 ( 1.329 3.512 0.427) 3.779 7.108 ( 0.311 -1.969 0.765) 2.135 7.972 ( -2.656 -3.294 -0.997) 4.347======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( -1.473 6.373 1.040) 6.623 1.904 ( -0.393 -0.291 0.027) 0.490 2.020 ( 1.957 -2.414 -0.654) 3.176 2.435 ( -1.070 -0.978 0.818) 1.665 3.227 ( -1.613 15.137 -0.294) 15.226 3.688 ( 2.082 -7.564 0.147) 7.847 6.162 ( 0.484 1.016 0.407) 1.197 6.204 ( 0.560 4.454 0.988) 4.597 6.370 ( 1.345 -3.176 -2.705) 4.383 7.001 ( -3.955 6.798 1.639) 8.034 7.127 ( 0.867 0.036 -0.862) 1.223 7.922 ( 1.668 -4.510 -0.380) 4.823======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( -6.245 3.169 0.853) 7.055 1.900 ( 0.315 -0.123 -0.058) 0.343 2.025 ( 2.404 -2.468 -0.632) 3.503 2.414 ( -1.053 -0.184 0.535) 1.195 3.220 ( -12.460 8.760 -0.376) 15.235 3.702 ( 6.212 -5.115 0.350) 8.054 6.136 ( -2.614 -0.740 0.404) 2.747 6.224 ( -2.681 0.834 0.602) 2.872 6.414 ( 6.124 0.225 -1.734) 6.369 7.006 ( -4.983 8.200 1.835) 9.769 7.098 ( -1.557 -3.061 -1.392) 3.705 7.939 ( 4.577 -2.986 -0.098) 5.465======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -7.787 -0.518 0.734) 7.839 1.906 ( 0.143 0.005 0.082) 0.165 2.046 ( 1.016 0.237 -0.918) 1.389 2.397 ( -1.206 -0.029 1.043) 1.594 3.034 ( -13.369 0.408 -0.016) 13.375 3.743 ( 0.541 -0.372 -0.134) 0.670 6.080 ( -3.565 -0.346 0.252) 3.590 6.155 ( -5.229 -0.363 -0.041) 5.242 6.513 ( 3.960 0.549 -1.641) 4.322 6.969 ( -3.102 -0.520 0.104) 3.147 7.074 ( 0.770 0.710 0.627) 1.221 8.004 ( 4.795 -0.292 -0.452) 4.825======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -7.951 -0.940 0.616) 8.030 1.891 ( -2.405 -0.396 -0.439) 2.476 2.046 ( -1.322 1.329 -2.730) 3.312 2.372 ( -3.276 0.179 2.435) 4.086 2.826 ( -8.338 -3.250 0.502) 8.963 3.693 ( -7.459 1.850 -0.001) 7.685 5.988 ( -7.760 -0.249 -0.021) 7.764 6.078 ( -2.983 0.684 -0.846) 3.175 6.502 ( -3.474 -2.087 -1.868) 4.463 6.978 ( 7.748 -4.885 0.836) 9.197 7.111 ( 1.081 2.621 0.328) 2.855 8.084 ( 4.254 1.361 -1.229) 4.633======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -8.084 0.905 -0.264) 8.139 1.791 ( -8.199 -1.387 -3.672) 9.090 2.023 ( -2.093 2.033 -2.882) 4.101 2.270 ( -9.503 -0.117 2.265) 9.770 2.740 ( 0.927 -2.831 1.482) 3.327 3.538 ( -14.219 4.347 1.442) 14.938 5.836 ( -9.956 0.628 0.028) 9.976 6.054 ( -0.605 0.883 -2.359) 2.590 6.397 ( -4.003 -3.598 -0.996) 5.474 7.101 ( 11.435 -6.779 4.029) 13.891 7.161 ( 2.162 3.424 -2.991) 5.034 8.160 ( 3.615 1.381 -2.235) 4.469======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( -0.000 1.067 -2.129) 2.382 1.891 ( -0.000 8.758 -1.733) 8.928 1.961 ( -0.000 -1.701 -7.209) 7.407 2.128 ( -0.000 11.281 0.878) 11.315 2.580 ( 0.000 -2.937 3.450) 4.531 3.516 ( -0.000 19.023 3.001) 19.258 5.765 ( -0.000 7.806 -0.577) 7.828 6.157 ( -0.000 1.620 -3.443) 3.805 6.275 ( 0.000 0.808 0.526) 0.964 6.778 ( -0.000 -3.710 -0.791) 3.793 7.340 ( 0.000 -9.963 -0.126) 9.964 8.307 ( -0.000 -1.143 -1.515) 1.898======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( 3.380 1.460 -1.252) 3.889 1.904 ( -0.416 -1.379 -8.710) 8.829 1.959 ( -0.569 5.723 0.425) 5.767 2.291 ( 6.338 9.020 0.334) 11.029 2.577 ( 1.731 -2.830 4.445) 5.546 3.694 ( 0.387 14.687 1.739) 14.795 5.868 ( 4.140 6.646 -0.616) 7.855 6.141 ( -2.546 2.815 -3.257) 5.001 6.319 ( 2.891 1.535 -0.500) 3.311 6.756 ( 1.982 -4.225 1.088) 4.792 7.241 ( -1.070 -8.089 -0.623) 8.183 8.261 ( -3.888 -0.614 -1.259) 4.132======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( 6.089 2.285 0.389) 6.516 1.881 ( 1.417 -1.291 -4.150) 4.571 1.995 ( -0.912 4.526 -0.712) 4.672 2.455 ( 2.443 3.871 1.764) 4.906 2.650 ( 9.762 0.726 1.636) 9.925 3.805 ( -1.573 9.024 0.449) 9.171 6.014 ( 5.462 5.735 -0.295) 7.925 6.127 ( -1.722 3.907 -2.015) 4.722 6.372 ( 2.148 0.363 -1.801) 2.827 6.778 ( 5.170 -3.457 1.711) 6.450 7.154 ( -1.224 -5.230 -0.444) 5.389 8.165 ( -6.468 -0.267 -1.077) 6.562======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 6.294 2.617 0.645) 6.847 1.892 ( 1.451 -0.773 -0.747) 1.805 2.014 ( -0.877 2.763 -0.617) 2.964 2.470 ( -1.095 -0.616 1.516) 1.969 2.906 ( 15.150 4.872 0.238) 15.915 3.810 ( -5.052 3.317 -0.334) 6.052 6.123 ( 1.194 4.626 -0.001) 4.778 6.162 ( 2.017 3.482 -0.789) 4.100 6.376 ( -0.250 -1.927 -1.661) 2.557 6.885 ( 9.273 -0.794 0.801) 9.341 7.102 ( -0.740 -1.956 0.249) 2.106 8.041 ( -7.207 -0.574 -0.840) 7.279======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 4.965 2.797 0.079) 5.699 1.901 ( 0.432 -0.531 0.149) 0.701 2.005 ( -2.068 -0.244 0.031) 2.083 2.445 ( -1.045 -0.786 0.361) 1.357 3.215 ( 14.827 5.838 0.225) 15.936 3.700 ( -8.688 -1.651 -0.388) 8.852 6.171 ( 0.331 1.811 0.302) 1.866 6.228 ( 2.321 3.725 -0.117) 4.391 6.329 ( -1.533 -3.181 -0.967) 3.661 7.041 ( 6.963 1.716 -0.375) 7.181 7.090 ( 0.542 -0.380 0.859) 1.085 7.922 ( -5.189 -1.140 -0.395) 5.328======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -0.019 -0.003 0.001) 0.019 1.932 ( -4.900 -2.406 -0.005) 5.459 1.952 ( 4.154 2.061 0.004) 4.637 2.426 ( -0.687 -0.303 -0.000) 0.751 3.495 ( -12.405 -3.087 0.017) 12.784 3.496 ( 12.595 3.177 -0.017) 12.989 6.168 ( -1.170 -0.161 0.136) 1.189 6.267 ( -2.168 -2.121 -0.471) 3.070 6.322 ( 4.570 2.889 0.345) 5.417 7.076 ( -0.785 -1.227 -0.068) 1.459 7.126 ( -0.092 0.786 0.058) 0.793 7.873 ( 0.620 0.267 -0.000) 0.675======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( -5.997 -3.937 -0.081) 7.174 1.902 ( 0.377 0.189 0.083) 0.430 2.032 ( 2.256 3.172 0.123) 3.894 2.411 ( -0.759 -0.404 0.214) 0.886 3.226 ( -12.390 -8.297 0.322) 14.915 3.695 ( 6.039 4.618 -0.432) 7.615 6.138 ( -2.815 0.645 0.571) 2.944 6.209 ( -2.149 -1.924 -1.010) 3.056 6.430 ( 5.163 1.701 0.034) 5.436 6.981 ( -4.459 -8.342 -0.958) 9.508 7.121 ( -1.680 2.710 1.182) 3.400 7.937 ( 4.201 2.944 -0.321) 5.140======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( -6.156 -3.181 0.068) 6.929 1.910 ( -0.156 0.553 -0.156) 0.595 2.080 ( -0.522 3.464 -1.064) 3.661 2.400 ( -0.245 -0.501 1.624) 1.717 2.939 ( -11.115 -9.472 0.470) 14.611 3.780 ( -0.462 3.662 -0.504) 3.725 6.085 ( -4.573 0.382 -0.163) 4.592 6.151 ( -3.543 0.652 -0.730) 3.676 6.499 ( 1.251 -1.053 -1.610) 2.295 6.833 ( 0.389 -10.277 0.897) 10.324 7.130 ( -0.235 1.894 0.496) 1.972 8.041 ( 3.807 4.111 -0.859) 5.669======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( -5.799 -1.231 -0.393) 5.941 1.885 ( -4.066 0.905 -2.144) 4.684 2.075 ( -2.717 2.977 -2.835) 4.928 2.387 ( -3.172 -0.166 2.726) 4.186 2.715 ( -3.919 -8.029 1.627) 9.082 3.754 ( -6.667 3.872 0.228) 7.713 5.983 ( -7.260 -0.238 -0.476) 7.279 6.106 ( -3.656 2.972 -1.787) 5.040 6.425 ( -4.350 -4.298 -1.604) 6.321 6.848 ( 10.195 -8.429 1.972) 13.375 7.153 ( 1.168 1.299 -0.543) 1.829 8.130 ( 2.521 3.716 -1.285) 4.671======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( -0.000 0.851 -1.680) 1.883 1.853 ( -0.000 -3.201 -8.383) 8.974 2.014 ( -0.000 4.381 -0.133) 4.383 2.314 ( -0.000 7.282 0.588) 7.305 2.555 ( 0.000 -2.563 4.983) 5.604 3.827 ( -0.000 11.746 1.109) 11.798 5.879 ( -0.000 4.347 -0.957) 4.451 6.183 ( -0.000 3.258 -4.648) 5.676 6.313 ( 0.000 2.333 0.847) 2.482 6.706 ( 0.000 -4.003 2.399) 4.666 7.174 ( 0.000 -6.575 -1.062) 6.661 8.287 ( -0.000 -0.266 -0.910) 0.948======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 4.683 1.039 -0.589) 4.833 1.823 ( 1.763 -1.753 -4.538) 5.174 2.043 ( -0.601 2.872 -0.141) 2.938 2.431 ( 5.782 5.119 0.097) 7.723 2.548 ( 1.489 -2.694 3.378) 4.570 3.913 ( -1.261 7.360 0.204) 7.470 5.959 ( 5.291 3.205 -0.620) 6.217 6.187 ( -1.701 3.516 -2.953) 4.897 6.350 ( 1.261 1.530 -0.108) 1.985 6.690 ( 1.929 -3.581 1.945) 4.509 7.117 ( -0.208 -4.069 -0.620) 4.121 8.251 ( -3.830 0.047 -0.716) 3.897======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 7.149 0.809 -0.121) 7.196 1.848 ( 2.691 -0.056 -0.746) 2.792 2.051 ( -0.941 1.569 0.097) 1.832 2.489 ( -1.177 -0.384 0.651) 1.398 2.681 ( 13.919 1.083 0.544) 13.972 3.921 ( -3.867 2.979 -0.439) 4.901 6.091 ( 6.442 2.300 -0.397) 6.851 6.186 ( -1.352 2.591 -0.865) 3.048 6.369 ( -0.088 0.090 -0.189) 0.227 6.730 ( 6.432 -2.233 0.276) 6.814 7.089 ( 0.119 -1.350 0.236) 1.376 8.161 ( -6.704 0.199 -0.515) 6.727======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 7.158 -0.323 -0.630) 7.193 1.887 ( 1.281 0.362 0.443) 1.403 2.041 ( -1.547 0.264 0.553) 1.664 2.458 ( -1.355 -0.794 -0.501) 1.648 2.957 ( 17.228 -0.057 0.331) 17.231 3.840 ( -7.177 0.146 -0.459) 7.193 6.177 ( 0.534 -1.128 -1.085) 1.653 6.196 ( 2.801 1.511 0.493) 3.220 6.354 ( -1.802 0.844 0.965) 2.211 6.870 ( 11.241 -0.490 -0.807) 11.280 7.089 ( 0.097 -0.047 0.668) 0.676 8.037 ( -7.856 0.359 -0.099) 7.864======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 5.049 -3.583 -0.910) 6.258 1.900 ( 0.146 0.408 -0.018) 0.434 2.009 ( -2.242 0.689 0.488) 2.396 2.434 ( -0.681 -0.207 -0.823) 1.088 3.214 ( 14.654 -5.982 0.053) 15.828 3.705 ( -8.513 2.094 0.132) 8.768 6.158 ( 0.493 -2.473 -1.028) 2.723 6.228 ( 1.242 -3.087 0.048) 3.327 6.358 ( -0.985 4.956 2.280) 5.544 7.041 ( 8.188 -1.865 -0.519) 8.414 7.080 ( -0.684 -0.439 -0.213) 0.841 7.930 ( -5.190 1.878 0.524) 5.544======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( -1.216 -6.915 -0.706) 7.057 1.903 ( -0.155 0.433 -0.095) 0.469 2.029 ( 2.079 3.087 0.434) 3.747 2.421 ( -0.741 -0.044 -0.806) 1.096 3.229 ( -1.100 -14.858 -0.025) 14.899 3.689 ( 1.297 7.380 0.218) 7.496 6.152 ( 1.703 -1.899 -0.875) 2.697 6.196 ( -0.873 -3.272 0.286) 3.398 6.413 ( 0.769 4.249 2.018) 4.766 6.979 ( -4.777 -7.356 -0.728) 8.801 7.133 ( 2.141 -0.091 -0.168) 2.149 7.930 ( 1.031 4.705 0.522) 4.845======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -3.386 -5.721 -0.202) 6.651 1.912 ( 0.525 0.793 0.084) 0.955 2.103 ( 2.270 3.297 0.411) 4.024 2.402 ( -0.878 -0.445 -0.377) 1.054 2.991 ( -8.309 -14.301 0.199) 16.541 3.796 ( 2.748 4.596 -0.248) 5.361 6.143 ( -2.119 -2.711 0.033) 3.441 6.171 ( 1.172 0.787 -0.363) 1.458 6.465 ( 1.537 1.309 0.783) 2.166 6.784 ( -6.549 -10.535 -0.607) 12.419 7.145 ( -0.056 0.038 0.287) 0.294 8.027 ( 3.440 5.584 -0.065) 6.559======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( -3.613 -3.493 -0.178) 5.029 1.928 ( -0.337 1.437 -0.619) 1.601 2.149 ( -1.603 4.153 -1.597) 4.730 2.395 ( 1.061 -1.064 1.922) 2.440 2.721 ( -7.587 -12.181 0.387) 14.355 3.848 ( -0.921 3.001 -0.072) 3.140 6.068 ( -4.088 -2.042 -0.240) 4.576 6.191 ( -1.674 3.720 -0.654) 4.131 6.458 ( -4.014 -1.783 -1.934) 4.800 6.633 ( 3.813 -10.486 1.865) 11.313 7.147 ( 0.302 0.222 -0.114) 0.391 8.129 ( 2.529 4.730 -0.378) 5.377======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -0.000 0.646 -0.305) 0.715 1.787 ( -0.000 0.013 -1.510) 1.510 2.069 ( -0.000 1.459 0.217) 1.475 2.411 ( -0.000 2.418 0.110) 2.421 2.528 ( 0.000 -2.183 1.573) 2.690 3.979 ( -0.000 3.790 -0.432) 3.815 5.930 ( -0.000 1.529 -0.145) 1.535 6.229 ( -0.000 3.202 -1.652) 3.603 6.353 ( -0.000 1.020 0.080) 1.023 6.647 ( 0.000 -2.955 0.273) 2.968 7.087 ( 0.000 -1.897 0.147) 1.903 8.283 ( -0.000 0.109 -0.560) 0.571======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 4.793 0.247 0.076) 4.800 1.817 ( 1.888 2.154 1.880) 3.426 2.074 ( -0.540 0.265 0.692) 0.917 2.489 ( 6.360 1.161 -0.645) 6.497 2.505 ( 1.031 -2.875 0.034) 3.054 3.980 ( -1.709 -0.162 -0.973) 1.973 5.991 ( 5.686 0.344 0.238) 5.702 6.235 ( -1.943 1.585 0.754) 2.618 6.366 ( 0.814 0.158 -0.002) 0.829 6.639 ( 2.255 -1.361 -1.938) 3.270 7.083 ( 0.096 0.422 1.006) 1.095 8.251 ( -3.734 0.194 -0.452) 3.766======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 6.651 -0.992 -0.545) 6.746 1.878 ( 1.325 2.167 2.312) 3.435 2.062 ( -0.914 -0.851 1.446) 1.911 2.466 ( -1.060 -1.411 -2.063) 2.715 2.679 ( 14.392 -1.600 0.303) 14.484 3.916 ( -3.592 -3.071 -0.995) 4.829 6.093 ( 5.944 -1.954 -0.171) 6.260 6.202 ( -1.939 -1.421 0.895) 2.565 6.384 ( 0.418 1.254 1.772) 2.211 6.706 ( 7.091 0.915 -2.402) 7.542 7.098 ( -0.182 1.672 1.165) 2.046 8.164 ( -6.547 0.337 -0.149) 6.557======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 5.957 -3.350 -1.398) 6.976 1.905 ( -0.071 0.866 0.568) 1.038 2.035 ( -1.243 -1.551 1.833) 2.703 2.437 ( -0.386 -0.606 -2.298) 2.407 2.908 ( 15.106 -4.930 0.440) 15.896 3.810 ( -4.484 -3.204 -0.355) 5.522 6.117 ( 0.814 -4.007 -0.750) 4.157 6.170 ( 1.324 -3.946 0.140) 4.164 6.421 ( 0.179 3.521 3.455) 4.937 6.864 ( 10.070 0.841 -1.498) 10.216 7.104 ( -1.551 1.404 0.402) 2.130 8.053 ( -6.907 1.219 0.496) 7.031======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 2.495 -6.773 -1.726) 7.421 1.909 ( -0.104 0.235 -0.206) 0.330 2.020 ( 0.850 -0.438 1.827) 2.062 2.426 ( -0.070 0.061 -2.134) 2.136 3.034 ( 7.619 -11.264 0.056) 13.599 3.739 ( -1.130 0.199 0.328) 1.194 6.087 ( 1.316 -3.923 -0.564) 4.177 6.154 ( 1.672 -4.733 0.036) 5.020 6.465 ( -0.431 3.238 3.658) 4.904 6.973 ( 0.777 -3.144 -0.357) 3.258 7.091 ( 0.803 1.560 -1.145) 2.095 7.990 ( -2.873 3.582 1.072) 4.715======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -0.125 -7.014 -0.630) 7.043 1.908 ( 0.477 -0.241 0.288) 0.607 2.069 ( 3.757 0.449 1.654) 4.130 2.416 ( -0.726 0.331 -2.240) 2.378 2.941 ( -2.627 -14.241 -0.113) 14.481 3.777 ( 3.424 1.570 0.174) 3.771 6.085 ( 2.676 -4.211 -0.231) 4.995 6.145 ( 2.121 -2.765 0.646) 3.544 6.480 ( -0.890 0.119 2.764) 2.906 6.842 ( -9.038 -4.127 -1.358) 10.028 7.133 ( 1.530 0.436 -0.241) 1.609 8.034 ( 1.934 5.199 0.814) 5.607======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 0.000 0.265 0.948) 0.984 1.845 ( 0.000 4.503 4.865) 6.629 2.078 ( 0.000 -0.893 1.543) 1.783 2.407 ( 0.000 -2.716 -0.275) 2.730 2.490 ( -0.000 -1.146 -2.801) 3.026 3.969 ( -0.000 -4.231 -1.546) 4.505 5.939 ( 0.000 -0.884 0.906) 1.266 6.273 ( 0.000 -0.005 3.425) 3.425 6.345 ( -0.000 -1.590 -0.899) 1.826 6.611 ( -0.000 1.288 -3.789) 4.002 7.101 ( 0.000 2.566 1.615) 3.032 8.283 ( -0.000 0.266 -0.514) 0.578======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 3.664 -0.526 0.664) 3.761 1.906 ( -0.070 3.831 4.244) 5.718 2.066 ( -0.595 -1.926 3.098) 3.696 2.424 ( 4.242 -5.328 -1.058) 6.892 2.491 ( 4.116 0.686 -2.898) 5.080 3.896 ( -0.959 -7.781 -1.715) 8.025 5.971 ( 4.867 -2.991 0.751) 5.762 6.230 ( -3.227 -2.852 1.631) 4.605 6.360 ( 2.914 -1.379 1.161) 3.427 6.648 ( 2.324 4.429 -2.656) 5.663 7.136 ( -0.464 4.037 1.442) 4.312 8.254 ( -3.664 0.451 -0.435) 3.717======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( 4.635 -2.598 -0.774) 5.369 1.924 ( -0.936 0.524 0.638) 1.248 2.039 ( -1.057 -2.924 4.217) 5.239 2.410 ( 1.250 -3.255 -3.329) 4.821 2.640 ( 12.015 -1.654 0.502) 12.139 3.790 ( -0.820 -9.342 -1.220) 9.457 6.014 ( 4.728 -6.090 -0.375) 7.719 6.148 ( -2.641 -3.650 0.414) 4.524 6.414 ( 3.756 -0.359 2.665) 4.620 6.759 ( 5.357 5.645 -0.260) 7.787 7.162 ( -1.876 4.347 0.444) 4.756 8.175 ( -6.059 0.931 0.035) 6.131======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 3.280 -6.108 -2.395) 7.335 1.907 ( -0.208 -1.370 -0.626) 1.520 2.007 ( -0.244 -2.738 4.277) 5.084 2.398 ( 1.687 -2.456 -3.181) 4.358 2.800 ( 9.525 -5.340 0.687) 10.941 3.703 ( 1.321 -7.915 -0.434) 8.036 6.009 ( 3.063 -7.191 -0.928) 7.871 6.087 ( -0.426 -3.574 0.396) 3.621 6.474 ( 2.441 -0.871 3.351) 4.236 6.913 ( 5.572 4.858 1.334) 7.512 7.149 ( -4.114 3.475 -1.410) 5.567 8.091 ( -5.186 2.329 0.902) 5.756======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 2.392 -7.593 -1.638) 8.127 1.886 ( 0.569 -3.153 0.618) 3.263 2.019 ( 2.374 -0.892 3.403) 4.244 2.395 ( 1.732 -2.571 -3.046) 4.346 2.829 ( 1.745 -8.476 -0.189) 8.655 3.693 ( 5.106 -5.169 -0.185) 7.268 5.989 ( 3.192 -6.765 -0.318) 7.488 6.070 ( 2.053 -2.938 0.948) 3.707 6.482 ( -0.075 -3.542 2.787) 4.508 6.979 ( -5.924 4.282 0.633) 7.337 7.119 ( 0.180 2.012 -1.563) 2.554 8.072 ( -0.984 4.056 1.450) 4.419======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( 0.000 -0.405 1.260) 1.324 1.950 ( 0.000 1.204 1.425) 1.866 2.070 ( 0.000 -1.214 7.249) 7.350 2.305 ( 0.000 -7.506 -0.401) 7.516 2.470 ( -0.000 2.175 -4.491) 4.990 3.798 ( 0.000 -12.390 -2.156) 12.576 5.896 ( 0.000 -4.518 0.974) 4.622 6.246 ( 0.000 -3.903 2.075) 4.420 6.297 ( -0.000 -2.152 -0.962) 2.357 6.682 ( -0.000 6.746 0.049) 6.746 7.193 ( 0.000 5.916 1.061) 6.010 8.290 ( -0.000 0.859 -0.683) 1.097======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 1.903 -1.753 0.097) 2.589 1.927 ( -0.684 -3.603 -1.683) 4.035 2.053 ( -2.282 -2.777 6.331) 7.280 2.281 ( 5.348 -8.658 -1.161) 10.243 2.527 ( 3.870 5.014 -0.600) 6.362 3.661 ( 0.937 -15.442 -1.980) 15.597 5.875 ( 3.427 -7.244 0.089) 8.014 6.170 ( -3.373 -3.058 0.156) 4.556 6.329 ( 4.565 -1.673 0.367) 4.876 6.772 ( 1.974 7.314 3.081) 8.178 7.247 ( -1.460 6.885 0.000) 7.038 8.268 ( -3.568 1.375 -0.569) 3.866======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 1.467 -5.463 -2.554) 6.207 1.872 ( 0.394 -5.396 -1.547) 5.627 2.001 ( -1.094 -4.057 5.109) 6.615 2.282 ( 5.064 -8.137 -2.716) 9.962 2.661 ( 5.642 3.332 1.855) 6.809 3.540 ( 3.813 -15.736 -1.435) 16.255 5.857 ( 4.199 -9.316 -0.985) 10.266 6.095 ( -2.760 -1.635 0.302) 3.222 6.398 ( 4.764 -1.909 1.257) 5.283 6.903 ( 3.897 6.931 4.757) 9.265 7.267 ( -4.132 6.801 -1.795) 8.158 8.205 ( -5.342 2.221 0.209) 5.790======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 2.316 -8.414 -2.962) 9.216 1.826 ( 1.132 -6.914 1.053) 7.085 1.987 ( 1.555 -2.106 4.065) 4.835 2.279 ( 4.797 -8.105 -2.834) 9.835 2.752 ( 2.163 0.118 0.856) 2.329 3.493 ( 8.001 -13.243 -1.290) 15.526 5.837 ( 4.789 -9.452 -0.969) 10.640 6.053 ( -1.227 -0.436 1.254) 1.808 6.434 ( 1.894 -3.833 1.565) 4.553 7.049 ( 3.886 6.012 4.969) 8.714 7.221 ( -7.766 5.905 -4.014) 10.549 8.154 ( -3.786 3.454 1.459) 5.329======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 0.000 -1.939 -0.281) 1.959 1.867 ( -0.000 -7.936 -3.090) 8.517 2.069 ( 0.000 -4.082 2.987) 5.059 2.122 ( 0.000 -10.923 0.247) 10.925 2.565 ( 0.000 7.990 2.264) 8.305 3.469 ( 0.000 -20.185 -2.192) 20.304 5.770 ( 0.000 -8.506 -0.033) 8.506 6.181 ( -0.000 -2.397 -0.734) 2.507 6.270 ( 0.000 -0.158 -0.011) 0.158 6.836 ( 0.000 6.533 5.849) 8.768 7.335 ( -0.000 8.598 -0.841) 8.640 8.313 ( -0.000 2.025 -0.981) 2.250======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -0.959 -5.274 -3.127) 6.206 1.777 ( 1.431 -9.800 -3.331) 10.449 1.979 ( -1.345 -7.532 3.274) 8.322 2.094 ( 5.335 -9.375 -1.508) 10.892 2.670 ( 1.586 7.623 4.373) 8.931 3.282 ( 3.645 -22.257 -2.039) 22.646 5.703 ( 2.516 -9.750 -0.701) 10.093 6.135 ( -2.700 -0.123 -0.584) 2.766 6.314 ( 3.861 -0.041 0.306) 3.874 6.929 ( 2.120 5.154 7.391) 9.256 7.398 ( -2.633 9.371 -2.147) 9.968 8.303 ( -3.300 2.662 -0.711) 4.299======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( -0.297 -10.273 -5.200) 11.518 1.715 ( 2.708 -10.263 0.171) 10.616 1.931 ( 2.217 -5.517 3.746) 7.028 2.090 ( 5.718 -9.420 -2.748) 11.357 2.763 ( 0.453 4.494 3.970) 6.013 3.173 ( 9.361 -20.521 -2.612) 22.706 5.661 ( 4.204 -9.890 -0.999) 10.793 6.097 ( -2.663 1.620 0.542) 3.164 6.369 ( 2.763 -1.377 0.588) 3.142 7.044 ( 3.832 3.657 6.583) 8.450 7.408 ( -6.284 9.416 -3.407) 11.822 8.263 ( -4.471 3.392 0.613) 5.645======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -0.000 -6.486 -4.615) 7.960 1.626 ( -0.000 -14.045 -6.588) 15.513 1.914 ( 0.000 -10.434 2.605) 10.754 1.951 ( 0.000 -8.403 -0.236) 8.407 2.752 ( 0.000 7.687 6.295) 9.935 3.005 ( 0.000 -25.873 -2.402) 25.985 5.586 ( 0.000 -9.755 -0.643) 9.777 6.165 ( -0.000 1.528 -1.323) 2.021 6.288 ( 0.000 1.663 0.571) 1.758 6.973 ( 0.000 2.762 9.036) 9.449 7.514 ( -0.000 10.829 -2.713) 11.164 8.356 ( -0.000 3.028 -1.282) 3.289======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( -4.180 -12.795 -8.057) 15.688 1.526 ( 5.614 -13.870 -3.992) 15.487 1.837 ( 1.531 -8.336 3.898) 9.329 1.907 ( 4.581 -9.323 -1.367) 10.478 2.776 ( 4.109 -22.475 5.394) 23.476 2.854 ( 1.890 2.259 -2.239) 3.700 5.510 ( 2.233 -9.344 -0.766) 9.637 6.165 ( -2.165 3.427 -0.417) 4.075 6.329 ( 1.975 1.321 0.402) 2.410 7.035 ( 2.315 0.886 8.671) 9.018 7.583 ( -3.635 11.213 -3.320) 12.246 8.358 ( -2.742 3.227 -0.699) 4.292======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -0.000 -13.964 -8.766) 16.487 1.262 ( -0.000 -18.296 -10.027) 20.864 1.739 ( 0.000 -14.612 1.675) 14.708 1.777 ( 0.000 -5.784 4.180) 7.136 2.463 ( 0.000 -27.695 -0.457) 27.699 2.919 ( 0.000 6.031 3.306) 6.878 5.404 ( 0.000 -8.387 -0.563) 8.406 6.223 ( -0.000 4.751 -0.653) 4.795 6.334 ( 0.000 2.601 0.547) 2.658 7.038 ( 0.000 -1.432 9.886) 9.990 7.719 ( -0.000 11.991 -3.452) 12.478 8.407 ( -0.000 2.723 -1.480) 3.099======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.349 ( 0.000 -0.000 20.541) 20.541 0.349 ( 0.000 -0.000 20.541) 20.541 0.696 ( 0.000 -0.000 40.856) 40.856 1.643 ( -0.000 0.000 -3.361) 3.361 1.643 ( -0.000 0.000 -3.361) 3.361 3.539 ( -0.000 0.000 -10.060) 10.060 5.163 ( 0.000 -0.000 1.076) 1.076 5.163 ( 0.000 -0.000 1.076) 1.076 6.442 ( -0.000 0.000 -0.601) 0.601 6.442 ( -0.000 0.000 -0.601) 0.601 8.312 ( 0.000 -0.000 1.540) 1.540 8.583 ( -0.000 0.000 -0.555) 0.555======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.427 ( 8.505 4.910 12.363) 15.788 0.577 ( 6.645 3.836 20.977) 22.336 1.123 ( 23.916 13.808 25.871) 37.841 1.669 ( 2.239 1.293 -2.652) 3.703 1.691 ( 5.753 3.321 -5.316) 8.508 3.132 ( -10.750 -6.207 0.516) 12.424 5.194 ( 2.427 1.401 1.175) 3.039 6.233 ( 39.420 22.759 -39.111) 60.013 6.414 ( -0.445 -0.257 -2.548) 2.599 6.425 ( -1.332 -0.769 -0.631) 1.662 8.252 ( -7.824 -4.517 4.436) 10.065 8.451 ( -5.357 -3.093 2.351) 6.617======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( 12.773 7.375 4.613) 15.454 0.801 ( 9.129 5.271 12.372) 16.254 1.660 ( 13.888 8.018 11.339) 19.640 1.731 ( 3.901 2.252 -1.743) 4.830 1.925 ( 19.722 11.386 -1.647) 22.832 2.993 ( -2.761 -1.594 -4.149) 5.233 5.277 ( 4.700 2.713 1.042) 5.526 6.300 ( -5.136 -2.965 -1.650) 6.156 6.384 ( -2.060 -1.190 -0.595) 2.452 6.775 ( 17.789 10.270 -20.603) 29.093 8.024 ( -12.507 -7.221 6.574) 15.867 8.375 ( -2.943 -1.699 -2.351) 4.133======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( 11.662 6.733 0.988) 13.503 1.047 ( 10.830 6.253 3.596) 13.012 1.838 ( 6.005 3.467 -0.678) 6.967 1.859 ( 5.794 3.345 0.177) 6.693 2.436 ( 20.816 12.018 1.115) 24.063 2.982 ( 3.294 1.902 -0.587) 3.848 5.407 ( 6.663 3.847 0.702) 7.725 6.169 ( -5.701 -3.292 -1.918) 6.857 6.337 ( -1.877 -1.083 -0.448) 2.213 7.029 ( 9.464 5.464 -10.229) 14.969 7.751 ( -13.437 -7.758 5.248) 16.379 8.291 ( -3.590 -2.073 -3.498) 5.424======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( 8.458 4.883 -0.874) 9.805 1.300 ( 11.462 6.618 -1.777) 13.354 1.957 ( 3.400 1.963 -1.805) 4.321 1.993 ( 7.791 4.498 0.180) 8.998 2.723 ( 5.136 2.965 -2.212) 6.329 3.198 ( 14.573 8.414 4.517) 17.423 5.571 ( 7.725 4.460 0.208) 8.923 6.055 ( -3.494 -2.017 -2.307) 4.647 6.303 ( -0.955 -0.551 -0.135) 1.111 7.148 ( 3.426 1.978 -7.162) 8.183 7.457 ( -13.858 -8.001 4.472) 16.615 8.215 ( -2.095 -1.210 -2.495) 3.475======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( 5.370 3.100 -1.525) 6.385 1.544 ( 11.010 6.357 -4.243) 13.403 2.012 ( 2.311 1.334 -1.827) 3.234 2.171 ( 7.675 4.431 0.491) 8.876 2.743 ( -2.110 -1.218 0.587) 2.507 3.534 ( 13.057 7.538 3.002) 15.373 5.741 ( 7.237 4.178 -0.410) 8.367 6.017 ( 0.921 0.532 -2.385) 2.612 6.295 ( 0.149 0.086 0.383) 0.420 7.100 ( -9.061 -5.231 -6.618) 12.380 7.216 ( -5.095 -2.942 4.004) 7.117 8.191 ( 0.241 0.139 -0.631) 0.690======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( 3.166 1.828 -1.455) 3.935 1.759 ( 9.147 5.281 -5.286) 11.811 2.061 ( 2.714 1.567 -1.550) 3.496 2.322 ( 5.387 3.110 0.449) 6.237 2.651 ( -6.211 -3.586 2.317) 7.537 3.775 ( 7.801 4.504 2.111) 9.252 5.880 ( 5.172 2.986 -0.995) 6.055 6.087 ( 5.780 3.337 -2.145) 7.010 6.307 ( 0.647 0.373 0.956) 1.213 6.825 ( -12.435 -7.179 -0.711) 14.376 7.166 ( -1.414 -0.816 -0.912) 1.870 8.210 ( 1.104 0.637 0.546) 1.387======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 1.508 0.871 -1.037) 2.027 1.907 ( 4.981 2.876 -4.131) 7.081 2.138 ( 4.937 2.850 -3.534) 6.707 2.404 ( 1.775 1.025 0.299) 2.071 2.498 ( -7.604 -4.390 3.441) 9.430 3.895 ( 2.393 1.382 2.083) 3.461 5.961 ( 2.299 1.327 -1.142) 2.890 6.254 ( 9.422 5.440 -2.228) 11.106 6.319 ( -0.042 -0.024 1.156) 1.157 6.567 ( -10.568 -6.101 2.065) 12.376 7.144 ( -0.184 -0.106 -1.229) 1.247 8.232 ( 0.613 0.354 0.982) 1.211======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 0.055 0.032 -0.357) 0.362 1.960 ( 0.645 0.372 -0.817) 1.105 2.223 ( 0.896 0.517 -3.791) 3.930 2.382 ( -0.714 -0.412 1.412) 1.635 2.399 ( -2.306 -1.331 0.074) 2.663 3.891 ( -3.329 -1.922 1.952) 4.311 5.974 ( -1.026 -0.592 -0.631) 1.342 6.308 ( -1.109 -0.640 0.716) 1.467 6.349 ( -7.085 -4.091 1.835) 8.385 6.502 ( 10.431 6.022 -0.687) 12.064 7.154 ( 1.384 0.799 -0.778) 1.777 8.242 ( -0.005 -0.003 1.390) 1.390======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -1.455 -0.840 0.706) 1.822 1.926 ( -4.221 -2.437 2.680) 5.563 2.152 ( -4.311 -2.489 2.711) 5.669 2.304 ( -6.074 -3.507 -0.334) 7.022 2.482 ( 7.473 4.314 -5.914) 10.461 3.750 ( -9.870 -5.699 1.079) 11.448 5.908 ( -4.876 -2.815 0.187) 5.634 6.212 ( -5.321 -3.072 3.914) 7.285 6.284 ( -0.913 -0.527 -0.060) 1.056 6.750 ( 11.398 6.581 -4.196) 13.814 7.203 ( 3.186 1.840 0.478) 3.710 8.248 ( 0.314 0.181 2.218) 2.247======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( -3.514 -2.029 2.478) 4.755 1.786 ( -9.292 -5.364 6.668) 12.632 2.071 ( -4.057 -2.342 1.516) 4.923 2.135 ( -8.532 -4.926 -1.171) 9.921 2.638 ( 7.723 4.459 -5.245) 10.346 3.452 ( -16.869 -9.739 -0.381) 19.482 5.764 ( -7.771 -4.486 0.620) 8.994 6.141 ( -1.846 -1.066 3.583) 4.169 6.275 ( 0.273 0.157 -0.510) 0.599 6.957 ( 8.022 4.632 -7.907) 12.179 7.307 ( 5.993 3.460 2.684) 7.423 8.276 ( 1.707 0.985 3.058) 3.638======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -7.146 -4.126 5.381) 9.851 1.558 ( -12.962 -7.484 9.146) 17.541 1.937 ( -8.197 -4.733 -2.722) 9.849 1.954 ( -6.921 -3.996 -0.792) 8.031 2.788 ( 6.255 3.611 -1.887) 7.465 3.004 ( -22.246 -12.844 -2.479) 25.807 5.581 ( -8.463 -4.886 0.634) 9.793 6.150 ( 1.769 1.021 2.217) 3.015 6.293 ( 1.468 0.848 -0.586) 1.794 7.050 ( 2.655 1.533 -9.187) 9.686 7.488 ( 9.167 5.293 3.312) 11.091 8.338 ( 2.879 1.662 2.874) 4.394======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( 0.000 18.437 10.075) 21.010 0.707 ( 0.000 15.278 16.595) 22.557 1.106 ( 0.000 16.444 31.656) 35.672 1.607 ( -0.000 0.010 -5.763) 5.763 1.728 ( -0.000 9.348 -3.371) 9.938 3.132 ( 0.000 -13.404 -1.485) 13.486 5.195 ( 0.000 2.758 1.196) 3.006 6.106 ( -0.000 44.762 -34.062) 56.248 6.418 ( -0.000 -0.521 -2.190) 2.251 6.421 ( -0.000 -1.666 -0.729) 1.818 8.261 ( 0.000 -8.420 3.776) 9.227 8.472 ( 0.000 -4.968 1.517) 5.195======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( -1.663 20.858 6.529) 21.919 0.860 ( -0.096 12.406 16.934) 20.993 1.535 ( 16.140 13.223 18.566) 27.929 1.641 ( 5.528 0.901 -5.592) 7.914 1.863 ( 4.884 15.752 -2.813) 16.730 2.995 ( -2.462 -5.314 -5.219) 7.844 5.253 ( 2.455 4.147 1.214) 4.970 6.322 ( -1.559 -2.913 -2.667) 4.246 6.393 ( -0.786 -1.803 -0.726) 2.097 6.566 ( 13.617 19.851 -22.696) 33.085 8.115 ( -6.562 -11.676 5.785) 14.589 8.411 ( -3.144 -1.309 -1.523) 3.731======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( 1.357 13.510 10.616) 17.236 1.062 ( 3.791 15.481 3.376) 16.292 1.736 ( 7.167 1.930 -3.221) 8.091 1.834 ( 5.272 6.471 2.757) 8.790 2.260 ( 17.473 19.200 2.458) 26.076 2.940 ( 1.719 -0.831 -3.779) 4.233 5.362 ( 4.495 5.585 1.097) 7.253 6.215 ( -4.768 -4.476 -1.572) 6.727 6.357 ( -1.489 -1.034 -0.686) 1.938 6.872 ( 11.956 8.397 -13.318) 19.769 7.878 ( -10.089 -10.842 5.504) 15.799 8.328 ( -4.159 -1.771 -3.173) 5.522======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 4.465 8.984 6.409) 11.905 1.282 ( 4.577 14.520 -1.738) 15.323 1.873 ( 6.780 2.274 -2.073) 7.445 1.966 ( 3.854 6.965 -0.207) 7.963 2.643 ( 9.207 8.095 -2.464) 12.505 3.068 ( 11.383 7.332 2.968) 13.861 5.514 ( 5.913 6.790 0.826) 9.042 6.091 ( -4.401 -3.395 -1.806) 5.844 6.326 ( -1.476 0.407 -0.645) 1.662 7.054 ( 7.240 2.161 -8.396) 11.295 7.607 ( -12.037 -9.514 4.646) 16.031 8.233 ( -3.250 -2.245 -2.835) 4.863======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 4.416 6.535 2.296) 8.215 1.486 ( 5.527 11.902 -3.109) 13.486 1.966 ( 3.652 0.733 -2.023) 4.239 2.126 ( 5.700 8.600 0.288) 10.321 2.747 ( 1.156 0.591 -1.295) 1.833 3.398 ( 13.806 9.524 3.131) 17.062 5.686 ( 6.039 7.280 0.393) 9.467 6.012 ( -1.307 -1.033 -1.799) 2.452 6.315 ( -0.983 1.872 -0.425) 2.157 7.104 ( 0.840 -1.966 -8.225) 8.498 7.333 ( -11.511 -7.186 5.046) 14.478 8.176 ( -0.221 -2.031 -1.132) 2.336======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 2.383 5.167 0.133) 5.691 1.679 ( 6.423 8.899 -3.684) 11.577 2.020 ( 3.009 0.520 -1.538) 3.419 2.297 ( 4.424 7.982 0.641) 9.149 2.716 ( -3.829 -1.598 0.602) 4.193 3.682 ( 9.876 5.973 2.050) 11.722 5.846 ( 4.525 6.735 -0.178) 8.116 6.028 ( 3.368 1.747 -1.504) 4.081 6.325 ( -0.510 2.674 -0.010) 2.722 6.955 ( -10.440 -5.941 -3.788) 12.595 7.182 ( -2.761 -2.221 1.164) 3.729 8.175 ( 2.165 -1.942 0.333) 2.927======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 0.576 4.145 -0.542) 4.220 1.838 ( 5.364 5.061 -4.190) 8.483 2.079 ( 3.791 1.352 -1.791) 4.406 2.416 ( 1.346 5.379 0.983) 5.631 2.606 ( -7.356 -0.964 1.247) 7.523 3.853 ( 5.254 2.145 2.026) 6.026 5.959 ( 1.919 5.534 -0.625) 5.891 6.142 ( 7.365 3.096 -1.255) 8.087 6.344 ( -0.455 2.810 0.236) 2.856 6.708 ( -11.418 -4.426 0.457) 12.254 7.143 ( -0.681 -0.761 -1.126) 1.520 8.199 ( 2.559 -2.247 0.913) 3.526======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( -0.850 3.046 -0.467) 3.197 1.927 ( 2.977 1.122 -2.582) 4.097 2.156 ( 4.210 0.944 -4.144) 5.982 2.425 ( -3.272 -2.055 2.986) 4.883 2.507 ( -6.465 6.801 -0.092) 9.384 3.910 ( 0.180 -1.101 2.217) 2.482 6.009 ( -1.296 3.870 -0.589) 4.124 6.266 ( 3.539 -2.287 -0.148) 4.217 6.395 ( 3.372 5.644 -2.121) 6.908 6.516 ( -7.838 0.173 3.762) 8.696 7.137 ( 0.720 0.144 -1.267) 1.465 8.216 ( 1.959 -2.619 1.162) 3.471======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -2.064 1.545 0.110) 2.580 1.948 ( -0.170 -1.338 0.228) 1.368 2.172 ( -0.555 -3.048 -1.855) 3.611 2.366 ( -2.720 -1.072 1.179) 3.152 2.488 ( -3.699 8.697 -2.171) 9.698 3.844 ( -6.064 -3.899 1.825) 7.437 5.983 ( -4.882 1.249 -0.019) 5.040 6.226 ( -2.005 -5.293 1.461) 5.845 6.372 ( -5.710 2.764 1.092) 6.437 6.632 ( 9.378 7.816 -1.946) 12.362 7.165 ( 2.576 0.618 -0.542) 2.704 8.224 ( 1.765 -2.591 1.628) 3.533======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( -3.283 -0.811 1.420) 3.668 1.887 ( -5.237 -2.965 3.210) 6.821 2.106 ( -2.807 -3.149 0.244) 4.226 2.259 ( -8.802 -1.119 0.538) 8.889 2.568 ( 4.156 7.056 -4.667) 9.426 3.635 ( -13.587 -6.382 0.865) 15.036 5.871 ( -8.177 -1.496 0.532) 8.330 6.151 ( -1.482 -3.967 2.307) 4.822 6.328 ( -3.809 3.794 0.368) 5.389 6.851 ( 8.698 6.723 -5.748) 12.405 7.237 ( 5.284 0.965 1.271) 5.519 8.243 ( 2.662 -1.896 2.198) 3.939======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( -5.290 -4.791 4.063) 8.213 1.741 ( -10.123 -2.547 5.055) 11.598 2.005 ( -5.642 -3.880 -2.474) 7.280 2.081 ( -10.559 -0.880 1.164) 10.660 2.707 ( 6.462 4.936 -4.112) 9.112 3.272 ( -21.236 -8.128 0.247) 22.740 5.697 ( -9.700 -2.885 0.744) 10.147 6.125 ( 1.209 -1.765 1.667) 2.712 6.316 ( -1.836 3.382 -0.189) 3.853 6.996 ( 4.209 4.360 -8.297) 10.274 7.377 ( 9.082 1.909 2.983) 9.748 8.291 ( 3.956 -0.982 2.045) 4.560======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 0.000 19.603 4.909) 20.208 1.086 ( 0.000 14.629 13.036) 19.594 1.577 ( 0.000 14.891 18.768) 23.958 1.585 ( -0.000 2.058 -7.768) 8.036 1.988 ( -0.000 19.841 -1.514) 19.899 2.941 ( -0.000 -5.602 -6.411) 8.514 5.283 ( 0.000 5.666 1.124) 5.776 6.301 ( -0.000 -3.173 -1.581) 3.545 6.374 ( -0.000 -2.634 -0.738) 2.735 6.593 ( -0.000 18.529 -18.630) 26.275 8.057 ( 0.000 -13.719 4.993) 14.600 8.422 ( -0.000 -1.362 -2.271) 2.648======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( -4.475 12.133 13.246) 18.512 1.206 ( -0.274 19.178 0.892) 19.201 1.641 ( 5.261 4.178 -5.704) 8.813 1.813 ( 6.261 8.103 6.996) 12.402 2.262 ( 7.601 23.239 0.522) 24.456 2.888 ( 1.255 -2.060 -4.606) 5.199 5.369 ( 2.451 7.052 1.120) 7.550 6.233 ( -3.023 -4.552 -1.096) 5.574 6.351 ( 0.266 -2.008 -0.719) 2.150 6.761 ( 7.027 10.384 -12.523) 17.721 7.897 ( -4.569 -13.350 4.491) 14.808 8.370 ( -3.410 -1.588 -3.199) 4.938======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( -2.296 10.143 9.959) 14.399 1.385 ( 0.917 16.629 -2.476) 16.837 1.785 ( 6.618 5.031 -2.109) 8.577 1.970 ( 4.084 6.902 0.377) 8.029 2.586 ( 7.457 11.708 -3.484) 14.312 2.979 ( 8.573 7.890 2.406) 11.897 5.505 ( 4.383 8.387 1.193) 9.538 6.124 ( -4.201 -3.775 -1.451) 5.831 6.340 ( 0.030 -0.162 -1.028) 1.041 6.924 ( 7.591 2.956 -7.816) 11.289 7.684 ( -7.608 -11.687 3.931) 14.489 8.271 ( -4.746 -2.165 -3.288) 6.166======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 0.506 8.658 6.643) 10.925 1.544 ( 1.781 13.707 -3.722) 14.314 1.905 ( 4.007 1.793 -1.466) 4.628 2.129 ( 5.312 9.967 0.044) 11.294 2.715 ( 3.227 1.963 -2.749) 4.671 3.288 ( 12.298 12.245 3.089) 17.627 5.676 ( 5.189 9.206 1.159) 10.631 6.030 ( -2.855 -1.693 -1.461) 3.627 6.344 ( -0.149 1.966 -1.374) 2.403 7.016 ( 4.655 -1.484 -6.290) 7.965 7.448 ( -9.430 -9.146 3.691) 13.646 8.170 ( -2.926 -2.718 -2.185) 4.553======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 0.808 7.602 3.748) 8.514 1.692 ( 2.797 10.803 -2.958) 11.545 1.964 ( 3.173 0.053 -1.573) 3.542 2.316 ( 4.441 9.918 1.023) 10.915 2.747 ( -0.243 0.850 -0.819) 1.206 3.583 ( 9.959 7.791 1.549) 12.739 5.850 ( 4.349 8.770 0.925) 9.833 6.003 ( 0.758 1.075 -1.050) 1.683 6.363 ( -0.347 3.283 -1.530) 3.639 7.003 ( -2.088 -3.500 -5.688) 6.997 7.239 ( -7.107 -5.202 3.361) 9.427 8.118 ( 0.714 -3.400 -0.607) 3.527======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( -0.462 6.733 1.544) 6.924 1.819 ( 2.620 6.712 -2.372) 7.585 2.020 ( 3.913 0.482 -1.348) 4.167 2.448 ( 1.567 4.812 1.724) 5.347 2.728 ( -4.449 5.008 -0.663) 6.731 3.776 ( 6.835 2.563 1.313) 7.417 5.985 ( 2.571 6.905 0.606) 7.393 6.070 ( 4.424 3.278 -0.601) 5.539 6.382 ( -0.577 3.133 -1.528) 3.533 6.853 ( -9.436 -2.377 -1.217) 9.807 7.148 ( -1.508 -1.551 0.018) 2.163 8.117 ( 3.178 -4.194 0.364) 5.275======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( -1.953 5.737 0.582) 6.088 1.891 ( 1.951 2.179 -2.120) 3.613 2.090 ( 3.774 0.731 -2.185) 4.421 2.458 ( -2.025 -1.870 2.309) 3.596 2.713 ( -6.871 11.739 -0.896) 13.632 3.873 ( 3.518 -1.366 1.745) 4.157 6.072 ( -0.114 5.573 0.451) 5.593 6.179 ( 5.085 0.930 -0.290) 5.178 6.401 ( 0.594 2.690 -2.008) 3.409 6.687 ( -9.575 2.471 2.070) 10.103 7.128 ( -0.074 -0.076 -1.294) 1.299 8.134 ( 3.650 -4.757 0.720) 6.039======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( -3.436 4.083 0.449) 5.355 1.924 ( 1.386 -0.325 -0.982) 1.730 2.126 ( 1.642 -1.735 -2.957) 3.802 2.403 ( -2.479 -1.293 2.302) 3.621 2.699 ( -8.591 12.046 -1.087) 14.836 3.875 ( -1.094 -3.606 1.787) 4.171 6.081 ( -3.793 2.768 0.622) 4.736 6.207 ( -0.521 -3.212 0.452) 3.285 6.451 ( 1.269 2.394 -2.594) 3.751 6.635 ( -2.144 8.928 2.310) 9.468 7.133 ( 1.163 -0.004 -1.178) 1.656 8.149 ( 3.347 -4.760 0.941) 5.894======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( -4.757 1.339 1.096) 5.062 1.920 ( -0.989 -1.574 0.747) 2.004 2.101 ( -0.672 -2.915 -2.200) 3.713 2.361 ( -3.393 -0.284 1.751) 3.829 2.663 ( -6.813 9.702 -1.997) 12.022 3.768 ( -7.749 -4.555 1.214) 9.071 6.003 ( -7.492 0.278 0.848) 7.545 6.143 ( -2.005 -3.900 0.928) 4.483 6.444 ( -4.167 4.111 -0.631) 5.887 6.778 ( 6.472 8.508 -2.398) 10.956 7.165 ( 3.487 -0.634 0.124) 3.546 8.166 ( 3.604 -4.012 1.106) 5.505======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( -6.201 -2.223 2.765) 7.144 1.858 ( -5.152 -1.610 1.863) 5.711 2.037 ( -3.009 -2.746 -3.286) 5.234 2.260 ( -9.318 0.108 2.276) 9.592 2.681 ( 0.718 6.118 -2.589) 6.682 3.530 ( -15.799 -4.442 0.857) 16.433 5.849 ( -10.169 -1.197 0.949) 10.283 6.094 ( -0.003 -2.698 0.511) 2.745 6.406 ( -4.422 3.554 -0.491) 5.695 6.948 ( 5.456 6.858 -5.920) 10.576 7.249 ( 7.340 -1.017 2.494) 7.819 8.203 ( 4.580 -2.857 0.721) 5.446======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 0.000 6.620 5.832) 8.822 1.384 ( -0.000 16.981 1.568) 17.053 1.646 ( -0.000 9.855 -4.660) 10.902 1.855 ( 0.000 7.425 6.171) 9.655 2.424 ( -0.000 21.451 -2.132) 21.557 2.856 ( -0.000 1.734 -1.173) 2.094 5.424 ( -0.000 8.157 0.780) 8.194 6.218 ( -0.000 -3.974 -1.021) 4.103 6.318 ( -0.000 -2.495 -0.537) 2.553 6.765 ( -0.000 7.718 -9.092) 11.926 7.811 ( 0.000 -13.929 3.377) 14.332 8.376 ( -0.000 -1.678 -3.450) 3.836======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( -1.287 4.518 2.757) 5.446 1.536 ( -0.555 15.058 -1.502) 15.142 1.773 ( 2.521 10.604 0.231) 10.902 1.962 ( 4.061 5.512 -0.011) 6.847 2.591 ( 2.739 7.858 -5.049) 9.733 2.976 ( 4.912 14.652 4.810) 16.185 5.532 ( 2.745 9.068 0.719) 9.501 6.149 ( -3.138 -3.075 -1.554) 4.661 6.314 ( 1.662 -1.244 -0.756) 2.210 6.834 ( 3.991 2.700 -5.495) 7.309 7.661 ( -3.099 -13.004 2.561) 13.611 8.317 ( -3.673 -1.744 -3.432) 5.320======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.908 5.256 3.320) 6.283 1.654 ( -0.333 12.886 -3.977) 13.490 1.881 ( 1.441 3.773 0.352) 4.054 2.125 ( 6.756 9.749 -0.709) 11.882 2.666 ( 3.348 1.138 -2.246) 4.189 3.264 ( 7.755 16.584 3.539) 18.646 5.690 ( 4.646 9.727 0.926) 10.819 6.064 ( -3.403 -1.268 -1.688) 4.005 6.339 ( 1.878 0.818 -1.569) 2.580 6.904 ( 4.862 -1.417 -3.445) 6.125 7.480 ( -5.109 -10.953 2.126) 12.271 8.213 ( -5.228 -1.887 -2.862) 6.251======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 1.785 6.232 3.952) 7.592 1.760 ( 0.866 10.641 -3.733) 11.310 1.919 ( 1.545 0.263 -0.759) 1.741 2.333 ( 5.471 9.679 1.078) 11.171 2.730 ( 3.548 1.486 -0.660) 3.903 3.531 ( 6.774 10.915 1.321) 12.914 5.867 ( 4.625 9.331 1.083) 10.470 6.017 ( -1.355 1.232 -1.197) 2.189 6.377 ( 1.313 2.176 -2.396) 3.493 6.945 ( 3.335 -2.568 -2.817) 5.065 7.300 ( -5.909 -7.803 2.095) 10.009 8.107 ( -3.600 -2.545 -1.779) 4.755======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 0.402 6.779 2.815) 7.352 1.858 ( 0.469 7.135 -1.309) 7.269 1.953 ( 3.561 -0.057 -1.372) 3.817 2.463 ( 1.678 2.996 1.807) 3.880 2.822 ( 1.943 8.442 -0.728) 8.693 3.702 ( 5.024 3.757 0.418) 6.287 6.005 ( 2.360 5.721 0.782) 6.238 6.054 ( 2.550 5.023 -0.143) 5.635 6.403 ( 0.288 1.496 -2.805) 3.192 6.942 ( -2.000 -0.007 -1.650) 2.592 7.165 ( -3.254 -3.749 1.391) 5.155 8.041 ( 0.014 -4.009 -0.668) 4.064======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( -1.604 6.828 1.613) 7.197 1.895 ( -0.199 1.959 -0.699) 2.089 2.027 ( 4.037 0.834 -1.255) 4.309 2.470 ( -1.036 -1.842 1.536) 2.613 2.930 ( -2.955 14.542 -0.844) 14.863 3.786 ( 4.376 -2.379 0.755) 5.038 6.103 ( 3.289 4.869 0.944) 5.951 6.138 ( 1.460 3.224 0.186) 3.544 6.401 ( 0.080 -0.371 -2.754) 2.780 6.877 ( -7.314 4.961 1.102) 8.906 7.126 ( -0.112 -0.464 -0.748) 0.887 8.022 ( 3.083 -5.492 0.022) 6.298======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -3.924 5.825 1.143) 7.115 1.904 ( 0.479 0.126 -0.614) 0.790 2.072 ( 2.179 -1.672 -1.631) 3.194 2.431 ( -1.692 -1.474 1.468) 2.682 2.975 ( -8.593 14.527 -0.883) 16.901 3.817 ( 3.426 -5.186 1.153) 6.321 6.150 ( -1.862 0.761 0.745) 2.145 6.192 ( 1.253 1.802 0.794) 2.334 6.408 ( 2.989 -0.014 -2.898) 4.163 6.828 ( -7.162 9.566 2.202) 12.151 7.120 ( -0.153 -0.220 -1.446) 1.471 8.032 ( 4.358 -5.774 0.277) 7.239======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( -6.106 2.906 1.261) 6.879 1.910 ( 0.552 -0.501 -0.141) 0.758 2.069 ( 0.717 -2.392 -1.828) 3.095 2.401 ( -1.504 -0.215 1.664) 2.253 2.919 ( -11.583 10.186 -0.840) 15.448 3.799 ( -0.627 -4.535 0.814) 4.650 6.101 ( -3.726 -1.047 0.961) 3.987 6.167 ( -3.967 -1.049 0.438) 4.126 6.479 ( 3.467 2.080 -2.944) 5.001 6.839 ( -3.270 10.121 1.280) 10.713 7.113 ( 1.213 -1.724 -0.689) 2.218 8.056 ( 4.506 -4.607 0.184) 6.447======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -7.321 -0.426 2.032) 7.610 1.902 ( -1.410 -0.712 0.548) 1.672 2.040 ( -1.206 -1.589 -3.305) 3.861 2.374 ( -3.258 0.261 2.583) 4.166 2.807 ( -9.128 5.167 -0.846) 10.523 3.699 ( -7.778 -2.520 0.431) 8.187 6.001 ( -7.949 -0.798 0.891) 8.039 6.089 ( -2.547 -1.895 -0.086) 3.176 6.498 ( -2.710 1.821 -2.306) 3.997 6.927 ( 3.320 7.515 -2.027) 8.462 7.137 ( 4.228 -2.697 1.554) 5.250 8.097 ( 4.666 -2.820 -0.360) 5.464======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -0.000 1.459 -2.246) 2.678 1.674 ( -0.000 12.931 -1.951) 13.077 1.887 ( -0.000 13.614 1.110) 13.659 1.949 ( -0.000 1.538 -2.806) 3.200 2.604 ( -0.000 2.029 -2.137) 2.947 3.128 ( 0.000 20.681 5.423) 21.380 5.597 ( -0.000 9.106 0.069) 9.106 6.150 ( -0.000 -1.792 -2.679) 3.223 6.280 ( 0.000 -1.138 -0.008) 1.138 6.809 ( -0.000 0.699 -2.597) 2.689 7.564 ( 0.000 -12.839 1.324) 12.907 8.326 ( -0.000 -1.404 -3.257) 3.546======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 2.343 1.998 -1.672) 3.504 1.768 ( -0.938 10.391 -5.106) 11.616 1.918 ( -1.365 1.982 -0.919) 2.576 2.095 ( 7.122 10.452 -0.660) 12.665 2.624 ( 1.594 -0.324 1.431) 2.166 3.366 ( 2.682 19.310 3.622) 19.829 5.713 ( 3.398 8.965 -0.067) 9.587 6.104 ( -2.681 -0.170 -2.992) 4.021 6.299 ( 2.525 0.230 -0.570) 2.598 6.821 ( 2.391 -1.848 -0.406) 3.049 7.431 ( -1.887 -11.446 0.532) 11.613 8.272 ( -3.838 -1.047 -2.801) 4.866======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 4.698 3.220 0.636) 5.731 1.828 ( 0.471 7.166 -6.526) 9.704 1.920 ( -0.564 1.535 0.803) 1.822 2.322 ( 7.196 9.616 0.444) 12.018 2.665 ( 3.958 -0.765 1.947) 4.477 3.582 ( 2.382 13.993 1.487) 14.272 5.874 ( 5.200 8.571 0.173) 10.027 6.060 ( -2.302 1.931 -2.325) 3.799 6.350 ( 2.734 1.169 -1.740) 3.445 6.849 ( 3.910 -3.087 0.551) 5.012 7.292 ( -2.771 -8.983 0.320) 9.406 8.171 ( -5.885 -0.876 -2.135) 6.322======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 4.453 4.226 1.625) 6.351 1.894 ( 3.093 2.464 -3.393) 5.210 1.928 ( -1.401 3.839 0.392) 4.105 2.466 ( 1.644 2.735 1.672) 3.603 2.796 ( 9.042 5.522 0.397) 10.603 3.710 ( 0.281 7.034 0.065) 7.040 6.024 ( 2.698 5.953 0.050) 6.537 6.069 ( 1.172 4.918 -0.810) 5.120 6.388 ( 1.286 0.227 -2.384) 2.718 6.904 ( 4.998 -1.055 0.445) 5.128 7.175 ( -2.602 -5.573 0.609) 6.180 8.058 ( -5.338 -1.516 -1.389) 5.721======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 2.119 5.245 1.100) 5.763 1.914 ( -0.177 -0.407 0.146) 0.467 1.981 ( 2.063 2.985 -0.931) 3.746 2.472 ( -0.865 -1.511 1.115) 2.067 3.032 ( 7.503 11.770 -0.056) 13.958 3.731 ( -1.024 -0.665 -0.219) 1.241 6.100 ( 2.071 4.665 0.325) 5.114 6.155 ( 1.656 4.223 0.084) 4.537 6.381 ( -0.210 -1.992 -2.181) 2.961 6.983 ( 1.702 3.697 0.315) 4.082 7.113 ( -0.200 -2.033 0.460) 2.094 7.965 ( -2.408 -3.274 -0.682) 4.121======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( -1.308 6.069 0.968) 6.284 1.904 ( -0.520 -0.154 -0.042) 0.544 2.014 ( 1.712 -2.150 -0.614) 2.816 2.441 ( -1.008 -1.335 0.612) 1.781 3.224 ( -1.903 15.337 -0.375) 15.459 3.690 ( 2.477 -7.758 0.301) 8.150 6.165 ( 0.306 0.892 0.428) 1.036 6.212 ( 1.103 4.704 1.026) 4.939 6.349 ( 1.076 -2.933 -2.307) 3.884 7.014 ( -3.461 6.682 1.613) 7.696 7.118 ( 0.312 0.058 -1.148) 1.191 7.919 ( 1.860 -4.544 -0.203) 4.915======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( -6.161 2.861 1.064) 6.875 1.900 ( 0.300 -0.019 -0.046) 0.304 2.020 ( 2.247 -2.084 -0.717) 3.147 2.420 ( -0.811 -0.450 0.779) 1.211 3.217 ( -12.485 9.096 -0.306) 15.450 3.704 ( 6.219 -5.523 0.213) 8.320 6.141 ( -2.556 -0.781 0.821) 2.796 6.227 ( -2.868 0.222 0.261) 2.889 6.397 ( 5.962 1.072 -2.171) 6.435 7.021 ( -5.293 7.916 1.677) 9.669 7.087 ( -1.124 -2.856 -1.054) 3.245 7.938 ( 4.582 -3.132 -0.302) 5.558======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -7.523 -0.950 1.343) 7.701 1.907 ( 0.189 0.014 0.154) 0.245 2.035 ( 0.233 0.420 -1.562) 1.634 2.409 ( -0.631 -0.040 1.796) 1.904 3.034 ( -13.447 0.749 -0.035) 13.468 3.741 ( 0.621 -0.683 -0.250) 0.956 6.083 ( -3.758 -0.636 0.452) 3.838 6.154 ( -5.109 -0.684 -0.058) 5.154 6.493 ( 3.548 0.986 -2.934) 4.708 6.970 ( -3.043 -0.833 0.231) 3.164 7.082 ( 0.805 1.225 1.033) 1.793 7.998 ( 4.692 -0.538 -0.830) 4.795======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( -0.000 1.341 -2.832) 3.133 1.834 ( -0.000 4.712 -10.566) 11.569 1.935 ( -0.000 1.664 0.070) 1.665 2.137 ( -0.000 11.074 1.191) 11.138 2.614 ( 0.000 -1.349 4.418) 4.620 3.540 ( -0.000 18.061 2.694) 18.261 5.760 ( -0.000 7.536 -0.741) 7.572 6.122 ( -0.000 1.167 -4.676) 4.819 6.280 ( 0.000 1.043 0.651) 1.229 6.783 ( 0.000 -2.765 1.844) 3.324 7.338 ( 0.000 -10.511 -0.521) 10.524 8.291 ( -0.000 -0.528 -2.389) 2.447======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 4.165 1.777 -1.412) 4.744 1.826 ( 1.008 0.530 -9.247) 9.317 1.967 ( -0.682 4.379 1.124) 4.573 2.294 ( 6.141 9.011 0.386) 10.911 2.616 ( 1.062 -2.509 4.549) 5.303 3.706 ( 0.145 13.990 1.204) 14.043 5.862 ( 4.371 6.490 -0.715) 7.858 6.110 ( -1.780 2.778 -4.065) 5.235 6.317 ( 2.082 1.618 -0.080) 2.638 6.772 ( 1.755 -3.698 2.617) 4.858 7.235 ( -0.884 -8.372 -0.795) 8.456 8.248 ( -3.899 -0.094 -1.874) 4.327======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 6.650 2.195 0.074) 7.003 1.846 ( 2.909 0.279 -4.074) 5.013 1.994 ( -1.202 4.136 0.196) 4.311 2.466 ( 3.296 4.243 0.827) 5.436 2.666 ( 8.281 -0.035 2.253) 8.582 3.806 ( -1.801 8.656 -0.072) 8.842 6.011 ( 5.640 5.598 -0.566) 7.967 6.109 ( -0.963 4.201 -2.321) 4.895 6.361 ( 1.593 0.678 -0.796) 1.905 6.794 ( 4.779 -3.543 1.897) 6.244 7.151 ( -0.923 -5.223 -0.282) 5.312 8.155 ( -6.462 0.115 -1.351) 6.603======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 6.399 2.188 -0.083) 6.763 1.887 ( 2.144 -0.266 -0.396) 2.197 2.011 ( -0.960 3.156 -0.048) 3.299 2.480 ( -1.271 -1.133 0.811) 1.886 2.910 ( 14.977 4.817 0.565) 15.743 3.806 ( -5.096 3.234 -0.625) 6.068 6.122 ( 1.523 4.982 -0.394) 5.224 6.155 ( 2.345 3.189 -0.937) 4.067 6.367 ( -0.532 -1.175 -0.382) 1.345 6.889 ( 8.899 -1.257 0.282) 8.992 7.106 ( -0.457 -1.842 0.604) 1.991 8.034 ( -7.154 -0.280 -0.808) 7.205======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 5.175 2.381 -0.378) 5.709 1.902 ( 0.427 -0.546 0.161) 0.712 2.006 ( -2.186 0.003 0.284) 2.205 2.447 ( -1.041 -1.195 0.027) 1.585 3.218 ( 14.730 5.844 0.330) 15.850 3.697 ( -8.556 -1.559 -0.430) 8.708 6.171 ( 0.387 1.322 -0.126) 1.383 6.225 ( 2.998 3.784 -0.424) 4.846 6.325 ( -2.177 -2.081 0.258) 3.023 7.036 ( 7.047 1.248 -0.865) 7.209 7.098 ( 0.423 -0.292 1.088) 1.203 7.919 ( -5.112 -0.844 -0.219) 5.186======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -0.010 -0.007 0.001) 0.012 1.932 ( -3.707 -4.306 -0.003) 5.682 1.952 ( 3.153 3.679 0.002) 4.845 2.426 ( -0.501 -0.555 -0.000) 0.748 3.495 ( -9.361 -7.902 0.013) 12.250 3.496 ( 9.503 8.064 -0.013) 12.463 6.170 ( -0.667 -0.424 0.088) 0.795 6.263 ( -1.935 -3.065 -0.273) 3.634 6.325 ( 3.537 4.577 0.192) 5.788 7.076 ( -1.064 -1.909 -0.041) 2.185 7.127 ( 0.392 1.119 0.035) 1.186 7.873 ( 0.449 0.491 -0.000) 0.665======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.807 ( -5.712 -4.280 0.344) 7.145 1.902 ( 0.418 0.157 0.095) 0.456 2.032 ( 1.971 3.344 -0.182) 3.886 2.415 ( -0.267 -0.596 0.567) 0.865 3.228 ( -12.351 -8.262 0.195) 14.861 3.691 ( 5.897 4.623 -0.358) 7.502 6.144 ( -2.817 0.609 0.879) 3.013 6.201 ( -2.055 -2.264 -0.829) 3.169 6.426 ( 4.240 2.400 -1.062) 4.987 6.976 ( -4.195 -8.170 -0.109) 9.185 7.129 ( -1.466 2.304 0.731) 2.827 7.934 ( 3.889 3.059 -0.462) 4.969======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -0.000 1.405 -1.463) 2.029 1.786 ( -0.000 -0.601 -7.249) 7.274 2.017 ( -0.000 3.893 0.613) 3.941 2.319 ( -0.000 7.053 0.534) 7.073 2.594 ( 0.000 -3.315 4.337) 5.459 3.833 ( -0.000 11.143 0.301) 11.147 5.871 ( -0.000 4.481 -0.709) 4.536 6.144 ( -0.000 3.802 -4.421) 5.831 6.320 ( 0.000 2.209 0.576) 2.283 6.728 ( 0.000 -4.306 2.683) 5.073 7.166 ( 0.000 -6.409 -0.805) 6.459 8.277 ( -0.000 0.180 -1.497) 1.508======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 4.945 1.345 -0.502) 5.149 1.792 ( 2.313 0.694 -2.748) 3.658 2.044 ( -0.675 2.842 0.411) 2.950 2.431 ( 5.684 4.916 -0.042) 7.515 2.575 ( 1.253 -3.824 2.802) 4.903 3.911 ( -1.307 6.970 -0.650) 7.121 5.954 ( 5.252 3.441 -0.400) 6.291 6.164 ( -1.213 4.613 -2.494) 5.382 6.350 ( 0.964 1.465 -0.012) 1.754 6.703 ( 1.847 -4.660 1.097) 5.131 7.114 ( -0.135 -3.587 0.056) 3.590 8.243 ( -3.818 0.379 -1.143) 4.003======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 7.091 0.665 -0.598) 7.147 1.848 ( 2.793 1.351 0.559) 3.152 2.054 ( -0.989 1.886 0.660) 2.229 2.491 ( -1.063 -1.158 -0.168) 1.581 2.687 ( 13.675 0.689 0.882) 13.721 3.914 ( -3.799 2.847 -1.109) 4.875 6.086 ( 6.270 2.428 -0.583) 6.749 6.180 ( -1.228 3.571 -0.504) 3.810 6.370 ( 0.056 0.482 0.406) 0.633 6.727 ( 6.486 -3.360 -0.759) 7.344 7.094 ( 0.144 -0.983 0.936) 1.365 8.156 ( -6.634 0.469 -0.749) 6.693======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 7.158 -0.516 -1.053) 7.254 1.892 ( 0.883 0.566 0.696) 1.259 2.048 ( -1.730 0.550 1.056) 2.100 2.452 ( -1.168 -1.491 -0.952) 2.120 2.961 ( 17.148 -0.111 0.618) 17.159 3.835 ( -6.945 0.269 -0.843) 7.001 6.167 ( 1.044 -1.171 -1.191) 1.970 6.199 ( 2.047 1.827 0.088) 2.745 6.366 ( -1.670 1.634 1.847) 2.978 6.860 ( 11.428 -0.919 -1.486) 11.561 7.097 ( 0.002 -0.112 1.174) 1.179 8.036 ( -7.698 0.657 -0.186) 7.728======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 5.273 -3.820 -1.089) 6.601 1.900 ( -0.027 0.320 0.025) 0.323 2.014 ( -2.538 0.840 0.662) 2.754 2.427 ( -0.354 -0.641 -0.876) 1.141 3.215 ( 14.415 -6.114 0.192) 15.659 3.705 ( -8.238 2.369 -0.043) 8.572 6.150 ( 0.556 -2.574 -1.052) 2.836 6.229 ( 1.287 -2.749 -0.022) 3.035 6.378 ( -1.359 5.512 2.357) 6.147 7.034 ( 9.125 -1.240 -1.162) 9.282 7.081 ( -1.606 -1.500 0.444) 2.242 7.934 ( -5.115 2.194 0.453) 5.584======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -0.000 1.147 0.127) 1.154 1.784 ( 0.000 2.655 0.795) 2.772 2.073 ( 0.000 1.657 0.740) 1.815 2.411 ( -0.000 2.258 -0.005) 2.258 2.538 ( 0.000 -3.834 0.817) 3.920 3.971 ( -0.000 3.489 -1.393) 3.756 5.931 ( -0.000 1.903 0.293) 1.926 6.219 ( -0.000 5.190 -0.595) 5.224 6.352 ( -0.000 0.683 -0.373) 0.778 6.642 ( -0.000 -4.681 -1.344) 4.870 7.093 ( 0.000 -1.296 1.058) 1.673 8.276 ( -0.000 0.333 -1.007) 1.060======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 4.426 0.510 0.206) 4.460 1.839 ( 1.488 3.799 3.268) 5.227 2.083 ( -0.547 0.743 1.474) 1.739 2.481 ( 3.415 0.449 -1.292) 3.678 2.505 ( 4.162 -3.768 0.056) 5.615 3.969 ( -1.602 -0.304 -1.797) 2.426 5.994 ( 5.409 0.639 0.449) 5.466 6.243 ( -2.341 2.826 1.232) 3.871 6.367 ( 1.300 0.608 0.177) 1.446 6.616 ( 2.610 -2.696 -3.362) 5.038 7.095 ( 0.006 0.722 1.645) 1.797 8.245 ( -3.658 0.351 -0.853) 3.773======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 6.192 -0.940 -0.581) 6.290 1.897 ( 0.373 2.259 2.151) 3.141 2.078 ( -1.109 -0.232 2.364) 2.622 2.446 ( -0.789 -2.239 -2.510) 3.454 2.683 ( 14.564 -1.661 0.680) 14.674 3.905 ( -3.288 -3.017 -1.529) 4.717 6.090 ( 5.398 -1.827 -0.404) 5.714 6.208 ( -2.248 -1.460 0.448) 2.717 6.403 ( 0.811 2.123 2.574) 3.434 6.683 ( 7.730 0.872 -2.949) 8.319 7.109 ( -0.378 1.560 1.454) 2.166 8.162 ( -6.338 0.510 -0.498) 6.378======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 5.739 -3.626 -1.425) 6.936 1.909 ( -0.509 0.560 0.324) 0.823 2.052 ( -1.795 -0.925 2.081) 2.900 2.417 ( 0.096 -1.129 -2.202) 2.477 2.913 ( 14.901 -4.937 0.692) 15.713 3.806 ( -4.053 -3.030 -0.638) 5.100 6.109 ( 0.815 -3.822 -0.942) 4.020 6.170 ( 1.145 -4.014 -0.180) 4.178 6.451 ( 0.164 4.005 3.543) 5.350 6.851 ( 10.353 1.366 -1.537) 10.555 7.108 ( -1.907 0.836 0.591) 2.165 8.056 ( -6.599 1.463 0.173) 6.761======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 0.000 0.521 1.052) 1.174 1.887 ( 0.000 5.179 4.888) 7.122 2.098 ( 0.000 0.161 3.158) 3.163 2.405 ( 0.000 -2.805 -0.297) 2.820 2.465 ( -0.000 -2.616 -3.308) 4.218 3.953 ( -0.000 -4.312 -2.260) 4.869 5.948 ( 0.000 -0.709 1.123) 1.328 6.303 ( 0.000 0.558 3.736) 3.777 6.336 ( -0.000 -1.739 -1.151) 2.086 6.575 ( -0.000 1.733 -4.624) 4.938 7.116 ( 0.000 2.525 1.882) 3.149 8.277 ( -0.000 0.342 -1.017) 1.073======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 3.136 -0.486 0.528) 3.217 1.934 ( -0.773 2.455 2.274) 3.435 2.100 ( -1.121 -0.484 4.889) 5.039 2.409 ( 1.823 -4.866 -2.583) 5.803 2.474 ( 7.252 -0.135 -0.881) 7.306 3.880 ( -0.741 -7.750 -2.123) 8.070 5.977 ( 4.451 -3.072 0.621) 5.444 6.238 ( -3.688 -3.241 0.262) 4.916 6.370 ( 3.806 -1.855 1.186) 4.397 6.629 ( 2.437 6.625 -1.674) 7.255 7.148 ( -0.595 3.647 1.372) 3.942 8.248 ( -3.503 0.523 -1.010) 3.683======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 3.986 -2.967 -0.964) 5.062 1.924 ( -1.057 -0.724 -0.298) 1.316 2.074 ( -1.781 -2.032 3.992) 4.820 2.382 ( 1.277 -3.194 -3.113) 4.640 2.648 ( 12.197 -1.504 1.410) 12.370 3.779 ( -0.410 -9.247 -1.334) 9.351 6.009 ( 4.319 -6.249 -0.666) 7.625 6.149 ( -2.631 -3.619 -0.337) 4.487 6.434 ( 4.713 -0.931 1.886) 5.161 6.763 ( 4.906 7.711 1.092) 9.204 7.165 ( -2.139 3.590 0.209) 4.184 8.173 ( -5.692 1.101 -0.577) 5.826======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 0.000 -0.600 0.688) 0.913 1.953 ( -0.000 -1.369 -0.529) 1.468 2.130 ( 0.000 -0.809 6.014) 6.068 2.303 ( 0.000 -7.446 -0.178) 7.448 2.441 ( -0.000 3.723 -1.977) 4.215 3.779 ( -0.000 -12.323 -2.187) 12.516 5.903 ( 0.000 -4.825 0.708) 4.876 6.253 ( 0.000 -4.889 -0.416) 4.907 6.290 ( -0.000 -1.846 -0.753) 1.994 6.691 ( 0.000 9.162 2.087) 9.396 7.201 ( -0.000 5.285 0.711) 5.333 8.281 ( -0.000 0.891 -1.465) 1.715======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 1.328 -2.398 -0.702) 2.830 1.910 ( -0.451 -4.745 -2.306) 5.295 2.094 ( -2.153 -3.599 3.222) 5.289 2.269 ( 4.231 -8.410 -1.575) 9.545 2.536 ( 4.461 6.393 2.625) 8.226 3.645 ( 1.154 -15.366 -1.584) 15.491 5.874 ( 3.066 -7.573 -0.245) 8.174 6.166 ( -3.189 -3.141 -1.195) 4.633 6.330 ( 5.053 -1.660 -0.150) 5.321 6.806 ( 1.751 9.167 4.849) 10.517 7.245 ( -1.651 6.054 -0.560) 6.300 8.259 ( -3.288 1.480 -1.502) 3.906======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( -0.000 -2.937 -1.528) 3.311 1.834 ( -0.000 -9.069 -4.802) 10.262 2.079 ( 0.000 -5.163 -0.210) 5.167 2.127 ( 0.000 -10.417 0.802) 10.447 2.595 ( 0.000 9.287 4.706) 10.411 3.455 ( 0.000 -20.108 -1.059) 20.136 5.768 ( 0.000 -8.798 -0.362) 8.806 6.167 ( -0.000 -2.379 -2.468) 3.428 6.272 ( 0.000 0.130 0.278) 0.307 6.892 ( 0.000 7.918 7.318) 10.782 7.325 ( -0.000 7.822 -1.621) 7.988 8.299 ( -0.000 2.134 -2.203) 3.067======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 0.000 -0.000 20.108) 20.108 0.521 ( 0.000 -0.000 20.108) 20.108 1.036 ( 0.000 -0.000 39.929) 39.929 1.607 ( -0.000 0.000 -5.208) 5.208 1.607 ( -0.000 0.000 -5.208) 5.208 3.435 ( -0.000 0.000 -14.712) 14.712 5.173 ( 0.000 -0.000 1.375) 1.375 5.173 ( 0.000 -0.000 1.375) 1.375 6.436 ( -0.000 0.000 -0.768) 0.768 6.436 ( -0.000 0.000 -0.768) 0.768 8.327 ( 0.000 -0.000 2.068) 2.068 8.577 ( -0.000 0.000 -0.812) 0.812======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 4.515 2.607 16.350) 17.161 0.758 ( 6.218 3.590 21.371) 22.545 1.354 ( 17.955 10.366 28.659) 35.372 1.638 ( 5.376 3.104 -7.271) 9.560 1.640 ( 2.786 1.608 -4.430) 5.475 3.111 ( -11.730 -6.772 -5.798) 14.733 5.205 ( 2.378 1.373 1.366) 3.066 5.954 ( 41.364 23.882 -26.563) 54.653 6.402 ( -2.550 -1.472 -1.162) 3.166 6.419 ( -1.311 -0.757 -0.778) 1.703 8.285 ( -5.791 -3.344 3.488) 7.542 8.463 ( -6.611 -3.817 0.675) 7.663======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( 10.048 5.801 9.290) 14.863 0.931 ( 5.061 2.922 17.772) 18.708 1.710 ( 4.530 2.615 -3.342) 6.208 1.715 ( 7.124 4.113 0.608) 8.249 1.946 ( 23.218 13.405 7.748) 27.907 2.947 ( -2.241 -1.294 -6.838) 7.311 5.286 ( 4.584 2.647 1.160) 5.419 6.285 ( -4.734 -2.733 -1.834) 5.766 6.378 ( -2.012 -1.162 -0.735) 2.437 6.606 ( 22.025 12.716 -18.813) 31.634 8.078 ( -12.529 -7.234 5.937) 15.638 8.356 ( -3.737 -2.158 -2.278) 4.880======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( 9.988 5.766 4.385) 12.338 1.103 ( 7.183 4.147 9.283) 12.449 1.826 ( 6.634 3.830 -1.955) 7.906 1.848 ( 5.355 3.092 -2.674) 6.737 2.450 ( 18.164 10.487 2.252) 21.095 2.971 ( 6.268 3.619 -2.020) 7.514 5.414 ( 6.496 3.750 0.839) 7.547 6.155 ( -5.833 -3.368 -1.427) 6.885 6.332 ( -1.780 -1.028 -0.613) 2.145 6.936 ( 11.734 6.775 -11.385) 17.698 7.795 ( -13.882 -8.015 5.126) 16.829 8.265 ( -3.544 -2.046 -2.555) 4.825======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 7.519 4.341 1.267) 8.774 1.305 ( 9.255 5.343 2.978) 11.094 1.938 ( 3.467 2.002 -2.551) 4.747 1.991 ( 8.204 4.736 -0.672) 9.496 2.705 ( 5.499 3.175 -2.126) 6.697 3.229 ( 14.892 8.598 2.821) 17.425 5.574 ( 7.500 4.330 0.432) 8.671 6.040 ( -3.625 -2.093 -1.264) 4.372 6.301 ( -0.778 -0.449 -0.350) 0.964 7.078 ( 3.657 2.112 -9.135) 10.064 7.497 ( -13.689 -7.903 4.608) 16.464 8.200 ( -1.575 -0.909 -0.991) 2.071======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 4.988 2.880 -0.361) 5.771 1.523 ( 9.679 5.588 -0.705) 11.199 1.997 ( 2.559 1.477 -1.850) 3.486 2.173 ( 7.826 4.519 0.027) 9.037 2.743 ( -1.195 -0.690 -0.580) 1.497 3.557 ( 12.750 7.361 2.275) 14.898 5.739 ( 6.954 4.015 -0.122) 8.031 6.003 ( 0.829 0.479 -0.931) 1.335 6.297 ( 0.411 0.237 0.142) 0.495 7.037 ( -5.908 -3.411 -8.063) 10.562 7.252 ( -7.840 -4.526 3.999) 9.896 8.191 ( 0.619 0.357 0.671) 0.980======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 3.104 1.792 -0.977) 3.715 1.721 ( 8.381 4.839 -3.525) 10.300 2.049 ( 2.643 1.526 -1.252) 3.298 2.325 ( 5.408 3.122 0.256) 6.250 2.663 ( -5.561 -3.210 0.726) 6.462 3.793 ( 7.790 4.498 2.172) 9.254 5.873 ( 4.946 2.856 -0.773) 5.764 6.074 ( 5.630 3.251 -0.779) 6.548 6.315 ( 0.874 0.505 0.791) 1.282 6.814 ( -10.809 -6.240 -1.856) 12.618 7.160 ( -2.143 -1.237 -0.474) 2.519 8.217 ( 1.181 0.682 1.298) 1.883======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 1.638 0.946 -1.041) 2.159 1.869 ( 5.760 3.325 -4.703) 8.146 2.112 ( 3.501 2.022 -2.564) 4.788 2.407 ( 1.737 1.003 0.282) 2.025 2.522 ( -6.858 -3.960 2.254) 8.234 3.914 ( 2.406 1.389 2.543) 3.766 5.951 ( 2.309 1.333 -1.172) 2.913 6.237 ( 8.801 5.081 -1.739) 10.310 6.330 ( -0.036 -0.021 1.218) 1.219 6.586 ( -9.242 -5.336 2.310) 10.919 7.132 ( -0.160 -0.093 -1.542) 1.553 8.242 ( 0.630 0.364 1.348) 1.532======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 0.358 0.206 -0.732) 0.840 1.948 ( 2.125 1.227 -2.109) 3.235 2.179 ( 2.711 1.565 -5.857) 6.641 2.400 ( -2.407 -1.389 0.189) 2.785 2.404 ( -3.201 -1.848 3.462) 5.065 3.910 ( -3.562 -2.057 2.512) 4.819 5.967 ( -0.736 -0.425 -1.003) 1.315 6.316 ( -1.381 -0.797 1.082) 1.927 6.353 ( -3.434 -1.983 -1.094) 4.114 6.508 ( 6.647 3.838 2.260) 8.001 7.145 ( 1.724 0.995 -1.319) 2.388 8.254 ( 0.164 0.095 1.536) 1.547======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -0.911 -0.526 0.008) 1.052 1.944 ( -2.666 -1.539 1.514) 3.430 2.161 ( -2.813 -1.624 -1.077) 3.422 2.302 ( -6.296 -3.635 -0.085) 7.271 2.443 ( 5.791 3.343 -2.668) 7.199 3.762 ( -10.374 -5.990 1.815) 12.116 5.907 ( -4.524 -2.612 -0.294) 5.232 6.240 ( -4.929 -2.846 2.613) 6.262 6.285 ( -1.258 -0.726 0.388) 1.503 6.716 ( 9.871 5.699 -3.659) 11.971 7.205 ( 3.927 2.267 -0.164) 4.537 8.266 ( 0.621 0.359 2.028) 2.151======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.693 ( 0.000 13.198 14.462) 19.579 0.847 ( 0.000 13.571 16.525) 21.383 1.378 ( 0.000 11.223 32.483) 34.367 1.551 ( -0.000 -0.454 -7.701) 7.715 1.693 ( -0.000 10.155 -4.969) 11.305 3.092 ( -0.000 -13.485 -8.037) 15.698 5.206 ( 0.000 2.690 1.355) 3.012 5.871 ( -0.000 44.276 -21.860) 49.378 6.405 ( -0.000 -2.333 -1.337) 2.689 6.415 ( -0.000 -1.656 -0.784) 1.832 8.290 ( 0.000 -6.781 3.294) 7.539 8.477 ( 0.000 -6.012 -0.098) 6.012======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( -1.117 17.108 9.359) 19.532 1.014 ( -0.674 9.901 18.732) 21.198 1.581 ( 5.988 0.365 -7.632) 9.707 1.681 ( 9.039 8.013 12.348) 17.274 1.854 ( 8.074 18.433 3.071) 20.356 2.937 ( -2.302 -5.248 -8.541) 10.286 5.264 ( 2.436 4.093 1.261) 4.927 6.286 ( 4.397 5.997 -6.948) 10.177 6.386 ( -0.162 -0.890 -1.231) 1.528 6.408 ( 8.806 14.052 -13.111) 21.140 8.160 ( -6.061 -11.505 5.027) 13.941 8.395 ( -3.626 -2.263 -2.080) 4.753======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 1.415 15.732 6.262) 16.991 1.137 ( 0.347 8.293 13.294) 15.672 1.702 ( 8.410 2.242 -4.618) 9.853 1.840 ( 3.152 7.031 -1.311) 7.816 2.292 ( 16.314 16.338 5.045) 23.633 2.902 ( 3.640 1.214 -5.206) 6.468 5.372 ( 4.383 5.611 1.099) 7.204 6.204 ( -4.856 -4.466 -1.171) 6.701 6.350 ( -1.457 -1.083 -0.797) 1.983 6.763 ( 13.704 10.994 -12.315) 21.456 7.923 ( -10.130 -11.303 4.887) 15.945 8.302 ( -4.149 -2.059 -2.818) 5.422======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 1.804 10.329 6.323) 12.244 1.288 ( 4.029 10.363 3.733) 11.729 1.855 ( 6.981 2.581 -2.225) 7.768 1.957 ( 3.988 7.561 -1.917) 8.761 2.624 ( 8.454 6.615 -2.039) 10.926 3.087 ( 12.735 8.908 1.469) 15.610 5.521 ( 5.696 6.886 0.890) 8.981 6.079 ( -4.447 -3.473 -0.949) 5.722 6.320 ( -1.317 0.261 -0.782) 1.554 6.980 ( 7.578 3.299 -8.790) 12.065 7.645 ( -12.051 -9.776 4.082) 16.046 8.214 ( -2.650 -2.274 -1.666) 3.869======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 2.133 7.306 3.237) 8.271 1.475 ( 5.455 10.059 0.730) 11.466 1.950 ( 3.690 0.961 -1.933) 4.275 2.125 ( 6.006 9.024 -0.428) 10.849 2.733 ( 2.013 0.999 -1.845) 2.908 3.419 ( 13.596 9.287 1.926) 16.577 5.691 ( 5.699 7.409 0.577) 9.365 6.002 ( -1.308 -1.100 -0.468) 1.772 6.310 ( -0.655 1.640 -0.585) 1.861 7.033 ( 0.434 -1.287 -8.397) 8.506 7.371 ( -11.126 -7.302 4.011) 13.899 8.172 ( 0.461 -2.077 0.208) 2.138======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 1.194 5.716 0.864) 5.903 1.659 ( 5.632 8.216 -1.089) 10.021 2.007 ( 3.183 0.645 -1.352) 3.518 2.301 ( 4.443 8.339 0.274) 9.453 2.715 ( -3.194 -1.456 -0.717) 3.582 3.697 ( 9.985 5.790 1.668) 11.662 5.846 ( 4.091 6.914 0.091) 8.034 6.021 ( 3.290 1.690 -0.054) 3.699 6.324 ( -0.041 2.331 -0.147) 2.336 6.917 ( -8.061 -4.335 -4.925) 10.393 7.194 ( -4.640 -3.142 1.555) 5.816 8.182 ( 2.475 -2.109 1.212) 3.470======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 0.063 4.560 -0.166) 4.563 1.806 ( 4.691 5.364 -3.362) 7.879 2.066 ( 3.302 1.037 -1.313) 3.702 2.423 ( 1.303 6.094 0.681) 6.268 2.612 ( -6.621 -1.449 0.099) 6.779 3.871 ( 5.505 2.040 2.160) 6.255 5.955 ( 1.530 5.844 -0.427) 6.056 6.135 ( 7.041 3.093 -0.365) 7.699 6.346 ( -0.090 2.155 0.280) 2.175 6.710 ( -9.959 -3.548 0.182) 10.573 7.133 ( -1.118 -0.894 -1.134) 1.826 8.208 ( 2.646 -2.425 1.312) 3.821======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( -1.000 3.429 -0.469) 3.602 1.901 ( 3.603 2.214 -3.504) 5.492 2.124 ( 2.923 0.752 -3.437) 4.574 2.448 ( -2.533 -1.116 2.558) 3.769 2.507 ( -6.577 5.511 -0.091) 8.581 3.930 ( 0.243 -1.294 2.495) 2.821 6.004 ( -1.467 4.348 -0.653) 4.635 6.262 ( 4.255 -1.595 -0.700) 4.598 6.379 ( 1.721 4.184 -1.475) 4.758 6.549 ( -6.472 0.443 4.139) 7.695 7.124 ( 0.815 0.266 -1.648) 1.858 8.227 ( 2.091 -2.715 1.265) 3.653======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( -1.913 2.002 -0.254) 2.781 1.946 ( 1.107 -0.566 -0.755) 1.455 2.142 ( 0.859 -1.776 -4.666) 5.066 2.384 ( -3.876 -1.453 2.903) 5.056 2.475 ( -4.629 7.765 -0.915) 9.086 3.861 ( -6.276 -4.227 2.170) 7.872 5.981 ( -4.834 1.798 -0.363) 5.171 6.236 ( -1.366 -5.118 0.770) 5.353 6.376 ( -4.825 2.518 -0.098) 5.443 6.623 ( 7.109 6.791 -0.217) 9.833 7.158 ( 3.057 0.961 -1.034) 3.368 8.237 ( 2.044 -2.646 1.445) 3.642======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 0.000 16.768 7.676) 18.442 1.195 ( 0.000 12.977 12.722) 18.173 1.513 ( -0.000 2.194 -9.528) 9.777 1.720 ( 0.000 8.758 12.924) 15.612 1.988 ( -0.000 21.200 3.317) 21.457 2.876 ( -0.000 -4.581 -8.817) 9.936 5.293 ( 0.000 5.546 1.105) 5.655 6.287 ( -0.000 -0.434 -1.656) 1.711 6.368 ( -0.000 -2.592 -0.662) 2.676 6.453 ( -0.000 19.849 -14.504) 24.583 8.097 ( 0.000 -13.934 4.466) 14.632 8.400 ( -0.000 -2.065 -2.992) 3.635======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( -1.180 16.581 3.109) 16.911 1.297 ( -3.507 8.595 10.904) 14.321 1.592 ( 6.698 6.236 -5.404) 10.628 1.853 ( 3.023 6.457 1.768) 7.345 2.279 ( 7.741 20.290 3.812) 22.049 2.846 ( 2.274 1.198 -5.066) 5.681 5.378 ( 2.538 6.953 0.991) 7.468 6.224 ( -3.170 -4.630 -0.990) 5.697 6.345 ( 0.156 -2.022 -0.740) 2.159 6.665 ( 7.683 13.446 -9.997) 18.432 7.933 ( -4.428 -13.954 3.957) 15.165 8.341 ( -3.372 -1.850 -3.582) 5.256======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( -1.798 7.268 8.174) 11.085 1.370 ( 0.368 14.837 -0.899) 14.868 1.774 ( 6.672 6.610 -0.318) 9.397 1.962 ( 3.592 6.841 -2.529) 8.131 2.562 ( 6.848 9.227 -2.189) 11.697 2.996 ( 9.417 10.823 1.722) 14.449 5.514 ( 4.438 8.382 1.005) 9.538 6.113 ( -4.185 -3.930 -1.074) 5.841 6.331 ( -0.045 -0.332 -1.083) 1.133 6.864 ( 7.603 4.750 -6.349) 10.986 7.714 ( -7.461 -12.245 3.242) 14.701 8.244 ( -4.319 -2.206 -2.978) 5.691======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -0.184 7.605 6.298) 9.876 1.520 ( 2.310 12.491 -1.912) 12.845 1.896 ( 3.377 2.005 -0.655) 3.981 2.125 ( 5.876 10.774 -0.964) 12.310 2.693 ( 3.796 2.578 -2.334) 5.148 3.309 ( 11.804 12.044 1.947) 16.976 5.686 ( 5.124 9.289 1.020) 10.657 6.021 ( -2.691 -1.829 -0.606) 3.310 6.333 ( -0.049 1.594 -1.331) 2.078 6.966 ( 3.894 -0.270 -5.589) 6.817 7.476 ( -9.116 -9.495 2.795) 13.456 8.156 ( -2.128 -2.838 -1.273) 3.768======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( -0.432 7.437 3.525) 8.241 1.676 ( 3.201 10.285 -0.652) 10.792 1.953 ( 3.099 0.180 -1.213) 3.333 2.322 ( 4.584 10.537 0.502) 11.502 2.737 ( 0.022 1.132 -1.462) 1.849 3.594 ( 9.930 7.472 0.994) 12.467 5.858 ( 4.144 8.924 0.932) 9.883 5.999 ( 0.904 0.977 0.097) 1.334 6.350 ( -0.036 2.722 -1.359) 3.043 6.957 ( -1.987 -1.922 -5.220) 5.907 7.263 ( -7.425 -5.800 2.404) 9.724 8.117 ( 1.363 -3.695 0.301) 3.950======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( -1.300 6.880 1.682) 7.201 1.803 ( 2.048 6.828 -1.140) 7.219 2.010 ( 3.883 0.430 -0.994) 4.031 2.460 ( 1.665 5.362 1.146) 5.730 2.719 ( -4.304 4.830 -1.417) 6.623 3.787 ( 7.201 2.358 1.255) 7.680 5.991 ( 2.281 7.178 0.801) 7.575 6.069 ( 4.335 3.205 0.309) 5.400 6.371 ( -0.168 2.369 -1.222) 2.670 6.841 ( -8.030 -0.932 -1.657) 8.252 7.148 ( -2.525 -2.022 0.028) 3.235 8.122 ( 3.468 -4.517 0.885) 5.763======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( -2.429 6.021 0.818) 6.543 1.873 ( 1.595 2.981 -2.129) 3.995 2.074 ( 3.093 0.517 -1.685) 3.560 2.475 ( -1.638 -1.826 1.708) 2.989 2.705 ( -6.715 11.698 -1.079) 13.532 3.888 ( 3.824 -1.603 1.829) 4.532 6.076 ( -0.431 5.982 0.581) 6.026 6.177 ( 4.957 1.174 -0.110) 5.095 6.386 ( 0.536 1.689 -1.502) 2.323 6.704 ( -8.528 2.991 1.870) 9.229 7.116 ( -0.286 -0.116 -1.449) 1.482 8.141 ( 3.796 -4.999 0.871) 6.337======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( -3.627 4.486 0.524) 5.793 1.913 ( 1.754 0.507 -1.603) 2.430 2.101 ( 1.139 -1.185 -3.013) 3.432 2.424 ( -2.224 -1.727 2.651) 3.867 2.690 ( -8.722 11.916 -0.957) 14.798 3.891 ( -1.051 -3.990 1.812) 4.506 6.086 ( -3.969 3.264 0.557) 5.169 6.210 ( -0.274 -2.980 0.063) 2.993 6.427 ( 1.736 2.303 -2.968) 4.139 6.658 ( -3.019 7.934 2.956) 8.989 7.122 ( 1.403 0.206 -1.430) 2.014 8.156 ( 3.534 -4.974 0.782) 6.151======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -0.000 2.335 -0.269) 2.350 1.398 ( -0.000 14.900 2.002) 15.034 1.623 ( -0.000 13.345 -0.284) 13.348 1.886 ( -0.000 4.746 0.661) 4.791 2.416 ( -0.000 17.328 0.487) 17.335 2.850 ( -0.000 7.296 -0.170) 7.298 5.430 ( -0.000 7.951 0.577) 7.972 6.206 ( -0.000 -4.401 -1.637) 4.696 6.315 ( 0.000 -2.376 -0.330) 2.399 6.701 ( -0.000 10.348 -5.923) 11.923 7.838 ( 0.000 -14.654 2.905) 14.939 8.344 ( -0.000 -1.652 -4.092) 4.413======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 0.836 2.650 -1.546) 3.180 1.524 ( -1.237 13.241 -1.469) 13.380 1.787 ( 2.702 11.656 2.962) 12.327 1.946 ( 3.533 4.259 -3.564) 6.582 2.562 ( 2.642 7.685 -1.787) 8.320 3.014 ( 4.638 16.380 4.216) 17.538 5.537 ( 2.952 8.857 0.418) 9.346 6.134 ( -2.906 -3.501 -2.065) 4.997 6.308 ( 1.299 -1.220 -0.628) 1.889 6.800 ( 3.811 4.486 -2.582) 6.428 7.680 ( -2.935 -13.745 1.991) 14.195 8.286 ( -3.497 -1.502 -3.837) 5.404======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 3.056 4.009 1.463) 5.249 1.620 ( -0.378 11.851 -4.018) 12.519 1.887 ( 0.734 3.045 1.043) 3.302 2.115 ( 7.550 10.858 -1.391) 13.298 2.654 ( 3.140 2.690 -0.683) 4.191 3.291 ( 6.977 16.043 2.791) 17.716 5.696 ( 4.906 9.571 0.541) 10.769 6.050 ( -2.997 -1.581 -1.680) 3.782 6.327 ( 1.556 0.627 -1.286) 2.113 6.883 ( 4.101 -0.081 -1.412) 4.338 7.495 ( -4.773 -11.569 1.426) 12.596 8.189 ( -4.777 -1.689 -2.737) 5.759======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 2.376 5.238 3.090) 6.529 1.730 ( 2.012 10.458 -3.118) 11.097 1.916 ( 1.005 0.369 -0.148) 1.081 2.339 ( 5.868 10.277 0.483) 11.844 2.725 ( 3.102 2.199 -0.378) 3.821 3.541 ( 6.366 10.456 0.868) 12.273 5.875 ( 4.806 9.211 0.719) 10.414 6.008 ( -0.873 1.059 -0.742) 1.560 6.359 ( 1.179 1.801 -1.743) 2.770 6.926 ( 2.344 -1.197 -1.716) 3.142 7.314 ( -5.514 -8.274 1.298) 10.028 8.094 ( -2.970 -2.621 -1.224) 4.147======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 0.178 6.257 2.032) 6.581 1.850 ( 0.937 7.571 -0.425) 7.641 1.944 ( 3.409 -0.243 -0.851) 3.522 2.475 ( 1.708 3.155 1.000) 3.724 2.815 ( 1.628 8.813 -0.874) 9.005 3.706 ( 5.207 3.472 0.360) 6.268 6.012 ( 2.494 5.282 0.776) 5.892 6.054 ( 2.813 5.283 0.245) 5.990 6.383 ( 0.322 1.122 -1.861) 2.197 6.928 ( -1.852 1.383 -1.437) 2.722 7.175 ( -3.706 -4.195 0.806) 5.655 8.038 ( 0.520 -4.293 -0.065) 4.325======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( -1.767 6.660 1.408) 7.033 1.889 ( -0.558 2.334 -0.543) 2.461 2.018 ( 3.822 0.844 -0.845) 4.005 2.480 ( -0.892 -1.964 0.805) 2.302 2.923 ( -3.105 14.818 -0.909) 15.167 3.793 ( 4.793 -2.615 0.858) 5.527 6.110 ( 3.527 4.679 0.882) 5.926 6.141 ( 1.291 3.447 0.578) 3.726 6.381 ( 0.063 -0.652 -1.923) 2.031 6.885 ( -6.616 5.689 0.718) 8.756 7.119 ( -0.687 -0.707 -0.897) 1.333 8.024 ( 3.329 -5.772 0.364) 6.673======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -4.037 5.881 1.210) 7.235 1.898 ( 0.321 0.612 -0.728) 1.004 2.059 ( 1.755 -1.365 -1.444) 2.651 2.442 ( -1.297 -1.737 1.298) 2.526 2.967 ( -8.647 14.666 -0.816) 17.045 3.826 ( 3.604 -5.541 1.090) 6.699 6.157 ( -1.675 0.531 1.041) 2.042 6.198 ( 0.949 2.275 0.403) 2.498 6.384 ( 2.732 -0.209 -2.535) 3.733 6.846 ( -6.903 9.471 1.965) 11.883 7.108 ( -0.121 -0.166 -1.437) 1.452 8.034 ( 4.461 -6.038 0.251) 7.512======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( -0.000 1.487 -4.317) 4.566 1.646 ( -0.000 11.015 -4.772) 12.004 1.902 ( -0.000 13.453 2.246) 13.639 1.919 ( -0.000 0.698 -3.875) 3.937 2.600 ( 0.000 4.339 0.930) 4.438 3.172 ( 0.000 20.006 4.788) 20.571 5.596 ( -0.000 8.814 -0.203) 8.816 6.123 ( -0.000 -2.441 -3.628) 4.373 6.281 ( 0.000 -0.922 0.236) 0.951 6.801 ( 0.000 2.058 0.722) 2.181 7.573 ( 0.000 -13.599 0.756) 13.620 8.295 ( -0.000 -0.924 -3.854) 3.963======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 3.588 2.250 -2.581) 4.960 1.712 ( -0.396 8.213 -7.958) 11.442 1.914 ( -0.366 1.859 -0.127) 1.899 2.093 ( 6.526 11.480 0.282) 13.208 2.643 ( 1.032 1.463 2.702) 3.242 3.394 ( 2.238 18.328 3.040) 18.713 5.711 ( 3.645 8.701 -0.355) 9.440 6.076 ( -2.040 -0.637 -3.618) 4.202 6.296 ( 1.907 0.334 -0.176) 1.944 6.829 ( 1.946 -0.899 2.282) 3.131 7.433 ( -1.675 -12.085 -0.043) 12.200 8.246 ( -3.689 -0.535 -3.188) 4.905======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 5.911 3.049 0.179) 6.653 1.772 ( 1.990 6.507 -6.543) 9.440 1.927 ( -0.732 2.151 0.938) 2.458 2.324 ( 7.516 9.915 0.167) 12.443 2.684 ( 2.878 -0.024 2.411) 3.754 3.593 ( 1.929 13.334 1.015) 13.511 5.874 ( 5.513 8.325 -0.211) 9.987 6.039 ( -1.537 1.742 -2.492) 3.407 6.339 ( 2.196 1.185 -0.862) 2.640 6.860 ( 3.097 -2.358 2.086) 4.416 7.293 ( -2.368 -9.411 -0.166) 9.705 8.153 ( -5.609 -0.538 -2.144) 6.029======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 4.800 3.632 0.682) 6.057 1.868 ( 4.349 4.048 -2.580) 6.477 1.933 ( -1.619 2.895 0.590) 3.369 2.477 ( 1.792 2.950 0.771) 3.536 2.800 ( 8.303 5.601 0.713) 10.041 3.710 ( 0.157 6.688 -0.102) 6.691 6.023 ( 2.710 5.393 -0.377) 6.047 6.063 ( 2.122 5.175 -0.719) 5.639 6.374 ( 0.956 0.420 -0.966) 1.422 6.909 ( 4.192 -0.585 0.830) 4.313 7.179 ( -2.233 -5.752 0.229) 6.175 8.047 ( -4.996 -1.435 -1.066) 5.306======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( 2.418 4.751 0.392) 5.346 1.915 ( -0.214 -0.412 0.053) 0.467 1.976 ( 2.104 3.440 -0.324) 4.045 2.478 ( -0.968 -1.684 0.387) 1.980 3.032 ( 7.190 12.019 -0.021) 14.006 3.729 ( -0.740 -0.889 -0.078) 1.159 6.102 ( 2.452 4.634 0.115) 5.244 6.155 ( 2.006 3.969 0.038) 4.447 6.368 ( -0.596 -1.622 -0.773) 1.893 6.985 ( 2.023 3.758 0.116) 4.270 7.116 ( -0.767 -1.925 0.152) 2.078 7.961 ( -2.119 -3.350 -0.242) 3.971======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( -0.972 5.813 0.741) 5.940 1.904 ( -0.626 -0.006 -0.116) 0.637 2.010 ( 1.407 -1.973 -0.485) 2.472 2.445 ( -0.812 -1.514 0.314) 1.746 3.221 ( -2.146 15.529 -0.385) 15.681 3.693 ( 2.776 -7.980 0.400) 8.458 6.169 ( 0.519 0.902 0.384) 1.109 6.220 ( 1.454 4.735 0.787) 5.016 6.333 ( 0.387 -2.891 -1.453) 3.258 7.027 ( -2.956 6.666 1.324) 7.411 7.108 ( -0.137 0.124 -1.216) 1.230 7.918 ( 1.916 -4.665 0.008) 5.043======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( -0.000 2.013 -3.030) 3.637 1.739 ( -0.000 3.537 -11.394) 11.930 1.942 ( 0.000 3.405 1.207) 3.613 2.148 ( -0.000 10.691 1.271) 10.766 2.651 ( 0.000 -0.530 4.386) 4.418 3.560 ( -0.000 17.033 2.009) 17.151 5.753 ( -0.000 7.386 -0.770) 7.426 6.082 ( -0.000 0.901 -4.817) 4.901 6.286 ( 0.000 1.157 0.658) 1.331 6.808 ( 0.000 -2.437 4.057) 4.733 7.332 ( 0.000 -10.898 -0.981) 10.942 8.268 ( -0.000 0.073 -2.867) 2.868======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 4.857 2.244 -1.343) 5.516 1.753 ( 2.157 2.452 -7.930) 8.576 1.977 ( -0.767 3.903 1.164) 4.144 2.298 ( 5.841 8.844 0.395) 10.606 2.652 ( 0.633 -2.503 4.016) 4.774 3.714 ( -0.029 13.212 0.500) 13.222 5.857 ( 4.469 6.462 -0.688) 7.887 6.075 ( -1.119 2.930 -3.899) 5.004 6.317 ( 1.601 1.648 0.214) 2.308 6.799 ( 1.432 -4.005 3.736) 5.661 7.227 ( -0.707 -8.348 -0.971) 8.434 8.230 ( -3.810 0.410 -2.190) 4.413======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 6.948 2.047 -0.504) 7.261 1.816 ( 4.041 2.194 -2.740) 5.353 1.997 ( -1.392 3.805 0.559) 4.090 2.470 ( 3.845 4.418 0.072) 5.857 2.686 ( 7.146 -0.672 2.347) 7.551 3.804 ( -1.880 8.216 -0.579) 8.449 6.005 ( 5.628 5.518 -0.752) 7.918 6.090 ( -0.252 4.614 -2.038) 5.051 6.359 ( 1.377 0.914 0.088) 1.655 6.810 ( 4.308 -4.325 1.921) 6.400 7.149 ( -0.683 -4.864 -0.125) 4.914 8.143 ( -6.311 0.447 -1.409) 6.482======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 6.519 1.863 -0.854) 6.834 1.886 ( 2.453 0.302 0.128) 2.475 2.013 ( -1.075 3.467 0.423) 3.654 2.484 ( -1.322 -1.521 0.008) 2.015 2.915 ( 14.707 4.760 0.807) 15.479 3.800 ( -4.959 3.068 -0.811) 5.887 6.117 ( 1.904 5.277 -0.692) 5.652 6.147 ( 2.467 2.950 -0.864) 3.942 6.369 ( -0.666 -0.616 0.852) 1.244 6.889 ( 8.557 -1.984 -0.246) 8.787 7.112 ( -0.302 -1.482 0.845) 1.733 8.028 ( -6.965 -0.076 -0.640) 6.994======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( -0.000 2.062 -0.999) 2.291 1.735 ( -0.000 2.352 -4.879) 5.416 2.023 ( 0.000 3.533 0.857) 3.636 2.323 ( -0.000 6.798 0.397) 6.810 2.627 ( 0.000 -4.120 3.378) 5.328 3.832 ( -0.000 10.462 -0.539) 10.476 5.867 ( -0.000 4.725 -0.358) 4.739 6.111 ( -0.000 4.610 -3.518) 5.799 6.323 ( -0.000 1.976 0.224) 1.989 6.751 ( 0.000 -5.611 2.727) 6.238 7.161 ( 0.000 -5.826 -0.495) 5.847 8.263 ( -0.000 0.628 -1.860) 1.963======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 4.884 1.647 -0.395) 5.169 1.778 ( 2.588 3.234 -0.462) 4.168 2.049 ( -0.727 2.871 0.734) 3.051 2.430 ( 5.442 4.690 -0.207) 7.187 2.595 ( 1.290 -4.881 1.990) 5.426 3.903 ( -1.272 6.531 -1.399) 6.799 5.952 ( 5.053 3.717 -0.122) 6.274 6.146 ( -0.940 5.838 -1.645) 6.137 6.349 ( 1.015 1.304 -0.088) 1.654 6.709 ( 1.852 -6.385 0.421) 6.661 7.117 ( -0.117 -2.865 0.635) 2.936 8.232 ( -3.740 0.693 -1.408) 4.056======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 6.834 0.695 -0.856) 6.923 1.857 ( 2.465 2.402 1.606) 3.798 2.062 ( -1.032 2.329 1.172) 2.804 2.487 ( -0.911 -1.809 -0.974) 2.247 2.696 ( 13.514 0.309 1.072) 13.560 3.903 ( -3.601 2.682 -1.601) 4.766 6.081 ( 5.886 2.529 -0.636) 6.438 6.177 ( -1.270 4.418 -0.152) 4.599 6.375 ( 0.501 0.853 0.955) 1.375 6.718 ( 6.675 -4.623 -1.473) 8.252 7.104 ( 0.107 -0.609 1.352) 1.487 8.149 ( -6.468 0.677 -0.876) 6.562======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 0.000 1.564 0.540) 1.655 1.800 ( 0.000 4.902 2.855) 5.673 2.081 ( 0.000 2.060 1.222) 2.395 2.410 ( -0.000 2.122 -0.120) 2.125 2.541 ( 0.000 -5.379 -0.074) 5.380 3.956 ( -0.000 3.186 -2.140) 3.838 5.935 ( 0.000 2.249 0.696) 2.354 6.218 ( -0.000 7.148 0.370) 7.157 6.347 ( -0.000 0.365 -0.777) 0.858 6.627 ( -0.000 -6.696 -2.270) 7.071 7.104 ( 0.000 -0.744 1.578) 1.745 8.266 ( -0.000 0.528 -1.323) 1.425======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 3.949 0.738 0.363) 4.033 1.870 ( 0.851 4.540 3.830) 6.001 2.099 ( -0.604 1.622 2.415) 2.971 2.467 ( 1.399 -1.157 -1.945) 2.661 2.506 ( 6.499 -3.539 0.076) 7.400 3.951 ( -1.439 -0.402 -2.338) 2.774 5.999 ( 4.994 0.838 0.599) 5.099 6.254 ( -2.948 3.328 1.203) 4.606 6.370 ( 2.038 1.700 0.692) 2.742 6.584 ( 3.099 -4.027 -4.072) 6.512 7.110 ( -0.094 0.857 1.823) 2.016 8.237 ( -3.541 0.442 -1.145) 3.748======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 0.000 0.574 0.977) 1.133 1.924 ( 0.000 4.245 3.674) 5.614 2.132 ( 0.000 1.944 5.032) 5.394 2.402 ( 0.000 -2.828 -0.268) 2.841 2.435 ( -0.000 -3.675 -3.655) 5.184 3.932 ( -0.000 -4.274 -2.610) 5.008 5.958 ( 0.000 -0.689 1.167) 1.355 6.326 ( -0.000 -1.749 -1.225) 2.135 6.333 ( 0.000 -0.443 3.182) 3.212 6.537 ( -0.000 3.601 -4.298) 5.607 7.132 ( 0.000 2.313 1.733) 2.890 8.267 ( -0.000 0.315 -1.389) 1.424======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( 0.000 -0.000 19.374) 19.374 0.687 ( 0.000 -0.000 19.374) 19.374 1.367 ( 0.000 -0.000 38.459) 38.459 1.555 ( -0.000 0.000 -7.161) 7.161 1.555 ( -0.000 0.000 -7.161) 7.161 3.293 ( -0.000 0.000 -18.858) 18.858 5.185 ( 0.000 -0.000 1.436) 1.436 5.185 ( 0.000 -0.000 1.436) 1.436 6.429 ( -0.000 0.000 -0.802) 0.802 6.429 ( -0.000 0.000 -0.802) 0.802 8.346 ( 0.000 -0.000 2.319) 2.319 8.570 ( -0.000 0.000 -1.012) 1.012======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 2.184 1.261 17.777) 17.955 0.932 ( 7.476 4.316 19.894) 21.686 1.566 ( 4.436 2.561 -7.568) 9.139 1.595 ( 3.394 1.959 -6.304) 7.423 1.603 ( 12.582 7.264 27.952) 31.502 3.035 ( -10.398 -6.004 -11.945) 16.937 5.216 ( 2.323 1.341 1.315) 2.987 5.777 ( 37.328 21.551 -16.097) 46.010 6.393 ( -2.907 -1.678 -1.006) 3.504 6.412 ( -1.302 -0.752 -0.786) 1.696 8.313 ( -4.537 -2.619 3.218) 6.148 8.464 ( -7.138 -4.121 -0.513) 8.258======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 7.423 4.286 12.435) 15.103 1.089 ( 2.446 1.412 19.352) 19.557 1.675 ( 5.271 3.043 -4.995) 7.874 1.681 ( 7.234 4.176 -7.078) 10.948 2.043 ( 19.610 11.322 13.750) 26.492 2.878 ( -0.956 -0.552 -9.530) 9.593 5.296 ( 4.493 2.594 1.072) 5.297 6.270 ( -3.160 -1.824 -1.839) 4.086 6.372 ( -1.986 -1.147 -0.743) 2.411 6.465 ( 22.921 13.233 -14.496) 30.177 8.124 ( -12.439 -7.182 4.970) 15.199 8.337 ( -4.083 -2.357 -2.141) 5.178======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 7.986 4.610 7.195) 11.696 1.197 ( 3.954 2.283 12.589) 13.391 1.805 ( 7.420 4.284 -3.207) 9.148 1.818 ( 5.916 3.416 -4.087) 7.960 2.470 ( 14.751 8.517 2.201) 17.175 2.949 ( 9.351 5.399 -3.156) 11.250 5.421 ( 6.384 3.686 0.829) 7.419 6.146 ( -5.819 -3.360 -0.557) 6.742 6.326 ( -1.720 -0.993 -0.671) 2.096 6.842 ( 13.127 7.579 -10.610) 18.502 7.834 ( -14.122 -8.153 4.064) 16.806 8.249 ( -3.232 -1.866 -1.267) 3.942======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 6.228 3.596 3.237) 7.886 1.349 ( 6.980 4.030 7.234) 10.830 1.916 ( 3.784 2.185 -2.666) 5.118 1.982 ( 8.768 5.062 -1.477) 10.231 2.686 ( 5.539 3.198 -2.374) 6.823 3.245 ( 15.376 8.877 1.034) 17.785 5.579 ( 7.335 4.235 0.584) 8.490 6.035 ( -3.603 -2.080 0.123) 4.162 6.297 ( -0.640 -0.369 -0.507) 0.896 7.000 ( 3.754 2.167 -9.260) 10.225 7.532 ( -13.502 -7.795 3.637) 16.009 8.198 ( -1.061 -0.612 0.609) 1.368======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( 4.317 2.492 0.863) 5.059 1.533 ( 7.821 4.515 3.256) 9.600 1.982 ( 2.879 1.662 -1.795) 3.778 2.172 ( 8.094 4.673 -0.435) 9.356 2.733 ( -0.592 -0.342 -1.726) 1.856 3.571 ( 12.833 7.409 1.242) 14.870 5.739 ( 6.693 3.864 0.183) 7.731 6.002 ( 0.764 0.441 0.781) 1.178 6.297 ( 0.662 0.382 -0.119) 0.773 6.968 ( -4.230 -2.442 -7.958) 9.338 7.282 ( -8.951 -5.168 3.158) 10.808 8.202 ( 0.796 0.460 1.771) 1.995======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 2.816 1.626 -0.334) 3.268 1.702 ( 6.789 3.919 -0.981) 7.900 2.039 ( 2.704 1.561 -1.085) 3.306 2.326 ( 5.511 3.182 0.028) 6.364 2.663 ( -4.913 -2.836 -0.788) 5.727 3.811 ( 8.041 4.642 1.876) 9.472 5.868 ( 4.664 2.693 -0.439) 5.403 6.074 ( 5.272 3.044 0.718) 6.130 6.320 ( 1.154 0.666 0.509) 1.427 6.796 ( -8.732 -5.041 -2.458) 10.378 7.157 ( -3.176 -1.834 -0.109) 3.669 8.231 ( 1.099 0.635 1.779) 2.186======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 1.583 0.914 -0.864) 2.022 1.830 ( 5.493 3.171 -4.256) 7.638 2.094 ( 2.435 1.406 -1.790) 3.334 2.409 ( 1.760 1.016 0.218) 2.044 2.536 ( -5.854 -3.380 1.107) 6.850 3.936 ( 2.539 1.466 2.552) 3.887 5.942 ( 2.181 1.259 -1.008) 2.712 6.225 ( 7.683 4.436 -1.150) 8.946 6.339 ( 0.095 0.055 1.077) 1.082 6.606 ( -7.593 -4.384 2.500) 9.118 7.118 ( -0.312 -0.180 -1.697) 1.735 8.254 ( 0.577 0.333 1.454) 1.599======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 0.000 9.496 16.669) 19.184 0.983 ( 0.000 12.065 15.768) 19.855 1.478 ( -0.000 -0.904 -9.623) 9.666 1.613 ( 0.000 6.168 6.392) 8.883 1.680 ( 0.000 11.650 18.233) 21.638 2.999 ( -0.000 -11.472 -13.829) 17.968 5.217 ( 0.000 2.624 1.283) 2.920 5.728 ( -0.000 39.940 -12.862) 41.960 6.394 ( -0.000 -2.921 -1.128) 3.131 6.408 ( -0.000 -1.634 -0.706) 1.780 8.317 ( 0.000 -5.670 3.130) 6.477 8.472 ( 0.000 -6.770 -1.087) 6.857======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.944 ( -1.732 13.078 12.322) 18.051 1.168 ( 0.804 8.030 17.541) 19.309 1.508 ( 7.288 0.726 -9.658) 12.121 1.706 ( 1.758 8.817 -4.302) 9.967 1.953 ( 10.654 14.317 18.004) 25.350 2.852 ( -1.537 -4.017 -11.613) 12.383 5.274 ( 2.406 4.044 1.091) 4.830 6.204 ( 14.412 22.567 -10.694) 28.833 6.341 ( -0.119 0.167 -3.817) 3.822 6.381 ( -0.886 -1.836 -0.689) 2.151 8.200 ( -5.706 -11.360 4.410) 13.456 8.376 ( -3.769 -2.965 -2.504) 5.410======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 1.266 12.741 7.592) 14.885 1.255 ( -1.369 5.167 13.561) 14.577 1.663 ( 9.722 3.566 -4.216) 11.181 1.814 ( 2.689 8.105 -4.636) 9.717 2.340 ( 13.345 12.481 5.888) 19.197 2.854 ( 5.809 3.962 -6.014) 9.253 5.380 ( 4.320 5.630 0.913) 7.155 6.197 ( -4.818 -4.495 -0.466) 6.606 6.344 ( -1.432 -1.156 -0.788) 2.002 6.669 ( 14.449 12.967 -9.810) 21.752 7.959 ( -10.225 -11.615 3.729) 15.918 8.281 ( -3.695 -2.369 -2.027) 4.835======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 1.448 10.636 4.311) 11.567 1.346 ( 2.529 6.116 8.958) 11.138 1.839 ( 6.775 3.347 -1.292) 7.667 1.935 ( 4.779 8.166 -3.343) 10.035 2.607 ( 7.611 5.516 -2.030) 9.616 3.093 ( 13.630 10.286 0.029) 17.076 5.528 ( 5.582 6.960 0.809) 8.958 6.076 ( -4.272 -3.567 0.164) 5.568 6.313 ( -1.203 0.121 -0.776) 1.437 6.909 ( 7.309 4.360 -7.892) 11.607 7.674 ( -12.000 -9.949 2.886) 15.853 8.206 ( -1.809 -2.432 -0.199) 3.038======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 0.755 7.727 2.713) 8.224 1.501 ( 4.942 7.530 5.493) 10.550 1.934 ( 3.577 1.276 -1.636) 4.135 2.119 ( 6.478 9.529 -0.984) 11.564 2.715 ( 2.410 1.289 -2.410) 3.644 3.430 ( 13.630 9.380 0.544) 16.555 5.696 ( 5.473 7.501 0.674) 9.310 6.005 ( -1.141 -1.231 1.059) 1.984 6.305 ( -0.403 1.469 -0.642) 1.653 6.965 ( 0.123 -0.435 -7.729) 7.743 7.400 ( -10.899 -7.474 2.824) 13.513 8.179 ( 1.049 -2.288 1.467) 2.913======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 0.230 6.035 1.157) 6.149 1.663 ( 4.322 6.808 2.221) 8.364 1.997 ( 3.365 0.837 -1.242) 3.683 2.302 ( 4.538 8.707 -0.048) 9.818 2.704 ( -2.760 -1.262 -1.973) 3.620 3.709 ( 10.335 5.854 1.040) 11.923 5.847 ( 3.720 7.046 0.342) 7.975 6.027 ( 3.190 1.450 1.519) 3.819 6.322 ( 0.361 2.116 -0.270) 2.163 6.875 ( -6.211 -2.843 -5.022) 8.478 7.207 ( -5.899 -3.904 1.439) 7.218 8.195 ( 2.599 -2.390 1.847) 3.984======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -0.528 4.890 0.181) 4.921 1.784 ( 3.352 4.932 -1.727) 6.208 2.057 ( 3.004 0.863 -0.996) 3.281 2.428 ( 1.301 6.636 0.420) 6.776 2.608 ( -5.782 -1.545 -1.005) 6.069 3.888 ( 5.874 2.050 1.932) 6.514 5.952 ( 1.101 6.088 -0.168) 6.189 6.136 ( 6.400 2.742 0.640) 6.992 6.348 ( 0.299 1.728 0.207) 1.766 6.711 ( -8.226 -2.566 -0.034) 8.617 7.124 ( -1.732 -1.169 -0.992) 2.313 8.220 ( 2.614 -2.651 1.473) 4.004======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 0.000 13.172 10.303) 16.723 1.298 ( 0.000 10.695 11.729) 15.873 1.426 ( -0.000 3.183 -10.959) 11.412 1.763 ( -0.000 8.089 -2.177) 8.377 2.068 ( 0.000 17.178 14.678) 22.595 2.794 ( -0.000 -2.084 -10.453) 10.658 5.301 ( -0.000 5.410 0.899) 5.484 6.274 ( -0.000 6.880 -1.635) 7.072 6.351 ( -0.000 14.861 -9.464) 17.618 6.363 ( -0.000 -2.530 -0.476) 2.575 8.133 ( 0.000 -14.161 3.897) 14.687 8.373 ( -0.000 -2.685 -3.311) 4.262======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( -2.073 12.920 4.495) 13.836 1.362 ( -1.083 3.588 3.291) 4.988 1.566 ( 7.302 10.337 0.414) 12.663 1.840 ( 1.488 6.660 -4.527) 8.190 2.324 ( 6.374 15.253 6.456) 17.747 2.805 ( 3.279 5.603 -4.576) 7.943 5.385 ( 2.617 6.833 0.699) 7.350 6.216 ( -3.111 -5.031 -0.893) 5.983 6.339 ( -0.023 -2.005 -0.643) 2.106 6.596 ( 7.814 16.048 -6.308) 18.932 7.963 ( -4.389 -14.476 3.127) 15.447 8.312 ( -3.069 -2.215 -3.385) 5.078======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 0.861 11.517 0.211) 11.551 1.404 ( -0.224 5.306 4.599) 7.025 1.784 ( 5.789 8.069 2.996) 10.373 1.929 ( 4.010 7.254 -5.133) 9.749 2.549 ( 5.860 7.628 -1.040) 9.675 3.008 ( 9.598 13.124 1.020) 16.291 5.522 ( 4.540 8.337 0.663) 9.516 6.106 ( -3.856 -4.249 -0.611) 5.770 6.322 ( -0.131 -0.466 -0.861) 0.988 6.820 ( 6.936 6.470 -4.105) 10.335 7.738 ( -7.415 -12.675 2.172) 14.844 8.222 ( -3.510 -2.472 -2.106) 4.782======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( -0.938 8.098 2.753) 8.604 1.519 ( 4.351 9.013 2.231) 10.254 1.894 ( 2.388 1.989 0.107) 3.110 2.115 ( 6.625 11.832 -1.336) 13.627 2.675 ( 3.738 3.128 -1.887) 5.227 3.320 ( 11.343 12.199 0.677) 16.671 5.693 ( 5.175 9.308 0.733) 10.675 6.020 ( -2.232 -2.120 0.308) 3.094 6.323 ( -0.004 1.335 -0.960) 1.644 6.924 ( 2.738 1.026 -4.309) 5.208 7.495 ( -8.869 -9.764 1.686) 13.298 8.150 ( -1.160 -3.198 -0.105) 3.403======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -1.043 7.465 1.873) 7.767 1.685 ( 3.594 8.672 2.794) 9.794 1.943 ( 2.900 0.335 -1.000) 3.086 2.325 ( 4.748 11.078 0.141) 12.053 2.723 ( -0.094 1.495 -2.008) 2.505 3.599 ( 10.045 7.476 0.311) 12.526 5.865 ( 4.092 9.017 0.793) 9.934 6.005 ( 1.209 0.650 1.257) 1.861 6.341 ( 0.151 2.370 -0.890) 2.536 6.916 ( -2.243 -0.485 -4.423) 4.983 7.279 ( -7.494 -6.234 1.518) 9.865 8.123 ( 1.907 -4.132 1.148) 4.694======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -1.734 6.995 1.244) 7.313 1.801 ( 1.091 6.090 0.745) 6.231 2.003 ( 3.899 0.504 -0.766) 4.006 2.467 ( 1.780 5.642 0.558) 5.943 2.705 ( -4.203 5.086 -2.019) 6.900 3.797 ( 7.633 2.333 0.994) 8.043 5.998 ( 2.058 7.448 0.839) 7.772 6.076 ( 4.220 2.778 1.280) 5.211 6.362 ( 0.097 1.864 -0.754) 2.013 6.826 ( -6.801 0.436 -1.853) 7.062 7.148 ( -3.344 -2.543 0.040) 4.201 8.132 ( 3.594 -4.885 1.248) 6.192======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( -0.000 1.167 -6.543) 6.647 1.416 ( -0.000 11.599 1.939) 11.760 1.642 ( 0.000 14.051 4.315) 14.699 1.865 ( -0.000 4.082 -5.106) 6.537 2.433 ( 0.000 13.059 3.185) 13.442 2.853 ( -0.000 12.364 0.922) 12.398 5.433 ( -0.000 7.728 0.275) 7.733 6.190 ( -0.000 -5.079 -2.158) 5.519 6.313 ( 0.000 -2.241 -0.067) 2.242 6.667 ( -0.000 12.704 -1.979) 12.858 7.859 ( 0.000 -15.336 2.155) 15.486 8.309 ( -0.000 -1.800 -4.052) 4.434======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 2.774 2.732 -4.458) 5.919 1.509 ( -1.014 10.204 -2.351) 10.520 1.820 ( 2.895 11.034 4.558) 12.285 1.906 ( 3.474 4.779 -5.511) 8.080 2.559 ( 2.041 7.696 0.796) 8.002 3.047 ( 4.170 17.518 3.434) 18.332 5.539 ( 3.121 8.641 0.058) 9.188 6.115 ( -2.388 -4.107 -2.318) 5.286 6.304 ( 0.926 -1.150 -0.256) 1.499 6.791 ( 3.224 6.138 0.587) 6.958 7.693 ( -2.824 -14.418 1.157) 14.737 8.255 ( -3.111 -1.474 -3.585) 4.970======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 5.435 3.694 0.155) 6.573 1.586 ( 0.234 10.085 -4.057) 10.873 1.895 ( 0.461 2.143 0.553) 2.261 2.105 ( 7.952 12.172 -0.675) 14.555 2.654 ( 2.445 3.830 0.540) 4.576 3.311 ( 6.194 15.797 1.780) 17.061 5.699 ( 5.156 9.402 0.093) 10.724 6.037 ( -2.279 -2.061 -1.497) 3.418 6.319 ( 1.273 0.555 -0.591) 1.509 6.880 ( 2.853 1.176 0.675) 3.158 7.504 ( -4.509 -12.066 0.539) 12.893 8.168 ( -4.042 -1.741 -2.118) 4.884======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 2.648 4.577 1.299) 5.445 1.711 ( 3.977 9.705 -1.331) 10.573 1.915 ( 0.540 0.514 0.005) 0.746 2.342 ( 6.126 10.640 0.125) 12.278 2.723 ( 2.309 2.877 -0.120) 3.691 3.545 ( 6.050 10.274 0.302) 11.927 5.879 ( 5.055 9.068 0.250) 10.385 6.004 ( -0.150 0.680 -0.247) 0.739 6.349 ( 1.029 1.659 -0.641) 2.055 6.917 ( 1.028 -0.013 -0.575) 1.178 7.322 ( -5.189 -8.597 0.441) 10.051 8.087 ( -2.196 -2.907 -0.437) 3.669======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 0.290 5.986 0.676) 6.031 1.853 ( 1.301 7.067 1.099) 7.270 1.938 ( 3.266 -0.191 -0.645) 3.335 2.479 ( 1.711 3.171 0.132) 3.605 2.807 ( 1.185 9.354 -0.877) 9.470 3.708 ( 5.451 3.376 0.250) 6.417 6.018 ( 2.842 5.018 0.666) 5.805 6.058 ( 3.108 5.091 0.530) 5.989 6.372 ( 0.182 0.983 -0.543) 1.138 6.918 ( -2.071 2.515 -1.157) 3.458 7.179 ( -3.917 -4.537 0.246) 5.999 8.040 ( 0.961 -4.660 0.551) 4.790======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( -0.000 2.389 -5.409) 5.913 1.591 ( -0.000 7.974 -8.300) 11.510 1.892 ( -0.000 2.274 -2.132) 3.117 1.923 ( 0.000 12.747 2.713) 13.032 2.616 ( 0.000 5.536 2.595) 6.114 3.208 ( 0.000 19.464 3.737) 19.820 5.593 ( -0.000 8.570 -0.435) 8.581 6.091 ( -0.000 -3.086 -3.732) 4.843 6.284 ( 0.000 -0.750 0.435) 0.867 6.820 ( 0.000 3.153 3.810) 4.946 7.576 ( 0.000 -14.304 -0.032) 14.304 8.262 ( -0.000 -0.622 -3.828) 3.879======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 4.812 2.976 -2.792) 6.309 1.638 ( 1.057 6.604 -9.224) 11.393 1.915 ( -0.098 2.754 0.537) 2.808 2.099 ( 5.792 11.611 1.053) 13.018 2.667 ( 0.512 2.439 3.085) 3.966 3.416 ( 1.834 17.501 2.075) 17.719 5.707 ( 3.799 8.518 -0.565) 9.344 6.045 ( -1.378 -1.077 -3.429) 3.849 6.296 ( 1.496 0.429 0.253) 1.576 6.858 ( 1.276 -0.308 4.590) 4.774 7.430 ( -1.467 -12.608 -0.781) 12.718 8.219 ( -3.395 -0.189 -3.067) 4.579======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 6.776 2.931 -0.429) 7.395 1.721 ( 3.784 6.696 -5.461) 9.433 1.935 ( -0.926 2.474 0.925) 2.799 2.325 ( 7.481 9.916 0.048) 12.421 2.704 ( 1.982 0.460 2.372) 3.126 3.599 ( 1.603 12.790 0.391) 12.896 5.871 ( 5.713 8.146 -0.545) 9.965 6.019 ( -0.720 1.532 -2.127) 2.718 6.336 ( 1.913 1.263 0.111) 2.295 6.883 ( 1.994 -2.064 3.372) 4.428 7.289 ( -1.998 -9.627 -0.768) 9.862 8.136 ( -5.138 -0.371 -1.797) 5.456======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -0.000 2.951 -2.712) 4.008 1.648 ( -0.000 4.640 -9.846) 10.885 1.954 ( 0.000 3.740 1.491) 4.026 2.158 ( -0.000 10.225 1.138) 10.288 2.686 ( 0.000 -0.232 3.766) 3.773 3.573 ( -0.000 16.071 1.045) 16.105 5.747 ( -0.000 7.375 -0.669) 7.406 6.044 ( -0.000 0.813 -3.991) 4.073 6.291 ( 0.000 1.139 0.554) 1.266 6.850 ( 0.000 -2.735 5.816) 6.427 7.321 ( 0.000 -11.057 -1.566) 11.168 8.243 ( -0.000 0.564 -2.916) 2.970======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 5.260 2.719 -1.228) 6.047 1.696 ( 3.026 4.775 -5.481) 7.874 1.986 ( -0.861 3.599 1.186) 3.886 2.301 ( 5.545 8.578 0.282) 10.218 2.682 ( 0.384 -2.689 3.106) 4.126 3.715 ( -0.114 12.468 -0.282) 12.472 5.851 ( 4.424 6.555 -0.552) 7.927 6.046 ( -0.644 3.206 -2.942) 4.399 6.320 ( 1.479 1.560 0.314) 2.173 6.834 ( 1.050 -5.070 4.548) 6.892 7.218 ( -0.549 -7.941 -1.194) 8.049 8.212 ( -3.627 0.815 -2.181) 4.310======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -0.000 2.714 -0.364) 2.738 1.706 ( -0.000 5.286 -1.971) 5.641 2.031 ( 0.000 3.287 0.976) 3.429 2.325 ( -0.000 6.558 0.200) 6.561 2.650 ( 0.000 -4.910 2.175) 5.370 3.824 ( -0.000 9.806 -1.299) 9.892 5.866 ( -0.000 5.041 0.043) 5.041 6.086 ( -0.000 5.429 -2.210) 5.862 6.323 ( -0.000 1.670 -0.155) 1.677 6.774 ( 0.000 -7.652 2.677) 8.107 7.158 ( 0.000 -4.866 -0.194) 4.870 8.247 ( -0.000 1.010 -1.963) 2.207======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 0.000 -0.000 18.185) 18.185 0.846 ( 0.000 -0.000 18.185) 18.185 1.487 ( -0.000 0.000 -9.081) 9.081 1.487 ( -0.000 0.000 -9.081) 9.081 1.682 ( 0.000 -0.000 36.085) 36.085 3.120 ( -0.000 0.000 -22.102) 22.102 5.197 ( 0.000 -0.000 1.249) 1.249 5.197 ( 0.000 -0.000 1.249) 1.249 6.423 ( -0.000 0.000 -0.697) 0.697 6.423 ( -0.000 0.000 -0.697) 0.697 8.365 ( 0.000 -0.000 2.210) 2.210 8.561 ( -0.000 0.000 -1.077) 1.077======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 0.954 0.551 17.797) 17.831 1.092 ( 8.943 5.163 17.918) 20.681 1.480 ( 4.136 2.388 -11.418) 12.376 1.533 ( 4.052 2.340 -8.196) 9.438 1.850 ( 7.259 4.191 28.775) 29.971 2.914 ( -8.050 -4.648 -16.554) 18.986 5.226 ( 2.269 1.310 1.034) 2.817 5.673 ( 33.132 19.129 -9.074) 39.319 6.385 ( -3.080 -1.778 -0.770) 3.639 6.406 ( -1.303 -0.752 -0.655) 1.641 8.339 ( -3.547 -2.048 2.931) 5.036 8.456 ( -7.664 -4.425 -1.189) 8.929======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 5.257 3.035 14.052) 15.307 1.246 ( 0.798 0.461 17.037) 17.062 1.613 ( 9.427 5.443 -8.347) 13.717 1.625 ( 6.145 3.548 -6.657) 9.730 2.162 ( 14.201 8.199 13.817) 21.443 2.789 ( 1.160 0.670 -11.304) 11.383 5.304 ( 4.441 2.564 0.796) 5.190 6.255 ( 1.639 0.946 -1.698) 2.543 6.365 ( 19.058 11.003 -9.273) 23.880 6.366 ( -1.987 -1.147 -0.619) 2.377 8.160 ( -12.643 -7.299 3.610) 15.038 8.321 ( -3.819 -2.205 -1.573) 4.682======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 5.920 3.418 9.059) 11.349 1.305 ( 2.075 1.198 12.251) 12.483 1.773 ( 8.385 4.841 -4.363) 10.620 1.786 ( 6.756 3.900 -2.974) 8.348 2.484 ( 11.332 6.543 0.856) 13.113 2.919 ( 12.189 7.037 -3.660) 14.542 5.427 ( 6.350 3.666 0.677) 7.363 6.146 ( -5.667 -3.272 0.546) 6.566 6.321 ( -1.708 -0.986 -0.612) 2.065 6.761 ( 13.663 7.888 -8.558) 17.948 7.862 ( -14.224 -8.212 2.433) 16.604 8.245 ( -2.730 -1.576 0.325) 3.169======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( 4.759 2.748 4.729) 7.250 1.423 ( 5.372 3.101 9.978) 11.749 1.895 ( 3.962 2.287 -1.984) 4.986 1.966 ( 9.463 5.463 -2.162) 11.139 2.665 ( 5.438 3.140 -2.788) 6.870 3.247 ( 15.896 9.178 -0.726) 18.370 5.584 ( 7.261 4.192 0.640) 8.408 6.042 ( -3.434 -1.983 1.644) 4.293 6.293 ( -0.564 -0.326 -0.580) 0.872 6.925 ( 3.684 2.127 -8.230) 9.264 7.557 ( -13.264 -7.658 2.340) 15.494 8.210 ( -0.669 -0.386 2.077) 2.216======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 3.461 1.998 1.947) 4.445 1.577 ( 5.784 3.340 6.973) 9.656 1.967 ( 3.147 1.817 -1.671) 4.000 2.166 ( 8.449 4.878 -0.842) 9.793 2.714 ( -0.262 -0.151 -2.822) 2.838 3.577 ( 13.247 7.648 0.084) 15.297 5.742 ( 6.493 3.749 0.461) 7.512 6.016 ( 0.716 0.414 2.525) 2.657 6.295 ( 0.865 0.499 -0.364) 1.063 6.905 ( -3.092 -1.785 -7.139) 7.982 7.305 ( -9.448 -5.455 2.300) 11.149 8.220 ( 0.748 0.432 2.541) 2.684======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 0.000 7.439 17.194) 18.734 1.109 ( 0.000 10.748 13.911) 17.579 1.390 ( -0.000 -1.329 -10.882) 10.963 1.562 ( -0.000 9.541 -9.232) 13.276 1.919 ( 0.000 5.073 28.869) 29.311 2.865 ( -0.000 -8.628 -17.542) 19.549 5.227 ( 0.000 2.572 0.993) 2.757 5.646 ( -0.000 36.091 -6.906) 36.745 6.386 ( -0.000 -3.278 -0.849) 3.386 6.403 ( -0.000 -1.604 -0.511) 1.683 8.343 ( 0.000 -4.625 2.818) 5.415 8.460 ( -0.000 -7.699 -1.589) 7.861======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( -2.325 9.766 13.515) 16.836 1.304 ( 1.275 5.137 13.718) 14.703 1.424 ( 9.611 2.764 -9.293) 13.652 1.647 ( 1.588 10.654 -8.872) 13.955 2.112 ( 6.929 8.950 18.307) 21.524 2.746 ( -0.293 -1.681 -12.932) 13.044 5.282 ( 2.368 4.011 0.737) 4.715 6.127 ( 16.421 26.989 -7.038) 32.367 6.321 ( -2.388 -3.775 -1.512) 4.716 6.377 ( -0.899 -1.771 -0.448) 2.036 8.234 ( -5.718 -11.544 3.664) 13.394 8.354 ( -3.491 -3.198 -2.591) 5.397======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.168 ( 0.773 9.189 8.935) 12.840 1.347 ( -0.278 2.387 7.147) 7.541 1.642 ( 9.821 6.024 -0.152) 11.522 1.767 ( 3.549 8.685 -5.999) 11.136 2.384 ( 9.536 8.815 4.133) 13.628 2.805 ( 7.925 7.132 -5.271) 11.894 5.387 ( 4.317 5.646 0.578) 7.131 6.196 ( -4.624 -4.651 0.308) 6.565 6.338 ( -1.396 -1.213 -0.612) 1.948 6.600 ( 14.309 14.344 -6.394) 21.246 7.984 ( -10.458 -11.752 2.037) 15.863 8.269 ( -2.858 -2.685 -0.686) 3.981======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 1.276 8.376 4.989) 9.832 1.421 ( 2.965 4.264 8.333) 9.819 1.837 ( 5.535 4.066 1.125) 6.960 1.902 ( 6.148 8.821 -4.351) 11.599 2.590 ( 6.803 4.992 -2.183) 8.715 3.088 ( 14.005 11.373 -1.295) 18.088 5.534 ( 5.587 7.008 0.602) 8.983 6.082 ( -3.853 -3.705 1.273) 5.495 6.307 ( -1.171 0.032 -0.587) 1.310 6.850 ( 6.515 5.202 -6.067) 10.311 7.693 ( -11.864 -9.978 1.421) 15.567 8.210 ( -0.922 -2.702 1.357) 3.162======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 0.363 7.021 2.576) 7.488 1.562 ( 4.440 5.527 8.527) 11.090 1.923 ( 3.168 1.465 -1.151) 3.675 2.109 ( 6.957 10.134 -1.249) 12.356 2.693 ( 2.371 1.516 -2.891) 4.035 3.428 ( 13.856 9.747 -0.838) 16.962 5.702 ( 5.395 7.548 0.673) 9.302 6.020 ( -0.791 -1.438 2.476) 2.970 6.300 ( -0.291 1.406 -0.541) 1.534 6.905 ( -0.293 0.358 -6.425) 6.442 7.419 ( -10.609 -7.573 1.716) 13.147 8.196 ( 1.425 -2.624 2.465) 3.872======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 0.000 9.386 11.455) 14.810 1.319 ( -0.000 0.876 -11.950) 11.982 1.401 ( 0.000 12.038 10.174) 15.762 1.710 ( -0.000 9.942 -9.231) 13.567 2.200 ( 0.000 10.873 14.970) 18.502 2.707 ( -0.000 1.803 -9.447) 9.617 5.307 ( -0.000 5.280 0.542) 5.308 6.257 ( -0.000 24.919 -2.312) 25.026 6.297 ( -0.000 -1.940 -3.407) 3.921 6.360 ( 0.000 -2.457 -0.210) 2.466 8.162 ( 0.000 -14.563 3.031) 14.875 8.345 ( -0.000 -3.038 -3.127) 4.360======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( -1.115 6.901 0.071) 6.990 1.360 ( 1.750 3.919 -1.031) 4.414 1.602 ( 5.987 11.430 6.670) 14.525 1.785 ( 1.669 7.541 -7.718) 10.919 2.376 ( 4.080 10.557 5.193) 12.452 2.775 ( 3.982 10.163 -2.245) 11.144 5.389 ( 2.678 6.713 0.296) 7.233 6.209 ( -2.750 -5.637 -0.919) 6.339 6.334 ( -0.213 -1.899 -0.307) 1.935 6.561 ( 7.371 18.026 -1.974) 19.575 7.985 ( -4.505 -14.887 1.832) 15.662 8.286 ( -2.504 -2.633 -2.524) 4.425======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 2.538 8.348 0.303) 8.730 1.428 ( 1.789 4.337 1.216) 4.846 1.822 ( 4.148 7.553 5.686) 10.324 1.879 ( 5.313 8.677 -6.324) 11.980 2.544 ( 4.684 7.096 -0.282) 8.507 3.013 ( 9.146 14.640 0.336) 17.266 5.525 ( 4.674 8.263 0.231) 9.496 6.103 ( -3.228 -4.691 -0.190) 5.697 6.317 ( -0.234 -0.509 -0.334) 0.652 6.796 ( 5.679 7.902 -1.415) 9.833 7.750 ( -7.450 -12.899 0.771) 14.916 8.210 ( -2.446 -2.951 -0.766) 3.908======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -0.427 8.332 0.380) 8.351 1.551 ( 6.358 5.825 4.363) 9.664 1.896 ( 1.553 1.599 0.204) 2.238 2.105 ( 7.035 12.832 -0.690) 14.650 2.662 ( 3.132 3.646 -1.346) 4.992 3.321 ( 10.921 12.626 -0.597) 16.705 5.698 ( 5.331 9.263 0.348) 10.693 6.026 ( -1.507 -2.539 1.049) 3.134 6.317 ( -0.049 1.257 -0.261) 1.285 6.894 ( 1.266 2.191 -2.627) 3.647 7.504 ( -8.594 -9.905 0.527) 13.124 8.154 ( -0.220 -3.740 1.105) 3.906======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( -0.000 2.573 -9.236) 9.587 1.423 ( -0.000 7.189 -0.871) 7.241 1.685 ( 0.000 12.606 5.604) 13.796 1.813 ( -0.000 5.495 -6.160) 8.255 2.462 ( 0.000 10.291 3.274) 10.799 2.866 ( -0.000 15.617 2.178) 15.769 5.434 ( -0.000 7.529 -0.073) 7.529 6.171 ( -0.000 -5.732 -2.201) 6.140 6.314 ( 0.000 -2.113 0.208) 2.123 6.668 ( -0.000 14.481 2.050) 14.625 7.873 ( 0.000 -15.922 0.995) 15.953 8.278 ( -0.000 -2.098 -3.324) 3.931======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 4.634 3.819 -5.396) 8.073 1.479 ( 0.233 6.831 -5.102) 8.529 1.855 ( 1.050 4.480 0.279) 4.610 1.868 ( 5.186 11.828 0.304) 12.918 2.572 ( 1.338 7.860 1.989) 8.217 3.072 ( 3.557 18.011 2.459) 18.523 5.538 ( 3.234 8.459 -0.300) 9.061 6.096 ( -1.785 -4.713 -2.065) 5.447 6.304 ( 0.677 -1.061 0.212) 1.276 6.809 ( 2.324 7.433 3.565) 8.565 7.698 ( -2.760 -14.946 -0.000) 15.199 8.228 ( -2.550 -1.689 -2.709) 4.086======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( -0.000 3.818 -5.508) 6.702 1.510 ( -0.000 5.995 -10.441) 12.040 1.885 ( -0.000 4.002 0.349) 4.018 1.946 ( 0.000 11.834 2.623) 12.122 2.640 ( 0.000 6.047 3.025) 6.761 3.234 ( -0.000 18.929 2.351) 19.075 5.589 ( -0.000 8.418 -0.588) 8.439 6.062 ( -0.000 -3.606 -2.974) 4.674 6.288 ( 0.000 -0.655 0.556) 0.859 6.863 ( 0.000 3.882 6.360) 7.451 7.572 ( 0.000 -14.892 -1.080) 14.931 8.232 ( -0.000 -0.561 -3.204) 3.253======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 0.000 -0.000 16.079) 16.079 0.991 ( 0.000 -0.000 16.079) 16.079 1.404 ( -0.000 0.000 -10.449) 10.449 1.404 ( -0.000 0.000 -10.449) 10.449 1.969 ( 0.000 -0.000 31.441) 31.441 2.927 ( -0.000 0.000 -23.061) 23.061 5.206 ( 0.000 -0.000 0.846) 0.846 5.206 ( 0.000 -0.000 0.846) 0.846 6.418 ( -0.000 0.000 -0.473) 0.473 6.418 ( -0.000 0.000 -0.473) 0.473 8.382 ( 0.000 -0.000 1.653) 1.653 8.552 ( -0.000 0.000 -0.887) 0.887======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 0.491 0.284 16.803) 16.813 1.232 ( 10.739 6.200 14.986) 19.451 1.377 ( 2.929 1.691 -12.561) 13.008 1.457 ( 4.681 2.702 -9.906) 11.285 2.076 ( 3.169 1.830 23.933) 24.212 2.766 ( -5.492 -3.171 -17.442) 18.559 5.233 ( 2.227 1.286 0.575) 2.635 5.618 ( 30.226 17.451 -4.304) 35.166 6.380 ( -3.158 -1.823 -0.415) 3.670 6.401 ( -1.315 -0.759 -0.410) 1.573 8.361 ( -2.500 -1.443 2.138) 3.592 8.446 ( -8.440 -4.873 -1.187) 9.818======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 3.597 2.077 14.439) 15.024 1.350 ( -0.050 -0.029 5.113) 5.113 1.563 ( 7.176 4.143 -8.261) 11.700 1.566 ( 11.953 6.901 -0.037) 13.802 2.263 ( 8.955 5.170 9.156) 13.811 2.697 ( 3.822 2.207 -9.464) 10.442 5.309 ( 4.439 2.563 0.385) 5.140 6.242 ( 12.229 7.060 -1.040) 14.159 6.308 ( 8.565 4.945 -4.312) 10.789 6.362 ( -2.016 -1.164 -0.388) 2.360 8.182 ( -13.123 -7.576 1.330) 15.211 8.314 ( -3.079 -1.778 0.006) 3.555======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 3.969 2.292 9.807) 10.825 1.390 ( 2.740 1.582 7.309) 7.965 1.732 ( 9.553 5.515 -5.279) 12.229 1.778 ( 6.557 3.786 1.556) 7.730 2.482 ( 8.996 5.194 -1.345) 10.474 2.890 ( 13.936 8.046 -3.277) 16.422 5.432 ( 6.398 3.694 0.409) 7.399 6.155 ( -5.386 -3.109 1.589) 6.419 6.316 ( -1.747 -1.009 -0.448) 2.067 6.701 ( 13.442 7.761 -5.638) 16.514 7.875 ( -14.126 -8.156 0.607) 16.322 8.255 ( -2.214 -1.278 1.988) 3.238======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 0.000 6.686 16.536) 17.836 1.196 ( 0.000 7.590 2.398) 7.960 1.315 ( -0.000 0.333 -2.726) 2.747 1.474 ( -0.000 9.751 -11.560) 15.123 2.135 ( 0.000 1.810 20.809) 20.888 2.718 ( -0.000 -5.680 -15.513) 16.520 5.233 ( 0.000 2.544 0.534) 2.599 5.606 ( -0.000 33.831 -2.751) 33.943 6.380 ( 0.000 -3.511 -0.462) 3.541 6.400 ( 0.000 -1.571 -0.227) 1.588 8.363 ( 0.000 -3.283 1.919) 3.803 8.447 ( 0.000 -9.062 -1.415) 9.172======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -2.026 6.474 11.007) 12.930 1.309 ( 4.503 0.651 -8.963) 10.052 1.444 ( 7.510 7.295 10.965) 15.161 1.565 ( 2.965 11.587 -9.930) 15.545 2.237 ( 3.558 5.240 9.544) 11.455 2.652 ( 0.992 1.209 -7.638) 7.796 5.286 ( 2.329 4.001 0.260) 4.637 6.088 ( 16.474 28.066 -2.353) 32.629 6.313 ( -2.810 -4.741 -0.459) 5.530 6.374 ( -0.946 -1.714 -0.157) 1.964 8.259 ( -6.510 -12.250 1.833) 13.993 8.336 ( -2.403 -2.795 -1.486) 3.974======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 1.048 5.534 8.113) 9.876 1.368 ( 3.505 2.093 -1.117) 4.232 1.647 ( 7.160 8.900 -1.805) 11.565 1.735 ( 5.518 7.184 1.297) 9.151 2.401 ( 6.755 6.949 -0.380) 9.699 2.773 ( 8.772 9.326 -1.990) 12.957 5.390 ( 4.372 5.662 0.153) 7.155 6.201 ( -4.197 -4.948 0.818) 6.540 6.334 ( -1.400 -1.201 -0.211) 1.857 6.563 ( 13.419 15.186 -2.392) 20.406 7.993 ( -10.673 -11.643 0.003) 15.795 8.271 ( -1.876 -3.073 1.027) 3.743======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( -0.000 2.670 -13.889) 14.144 1.322 ( 0.000 4.933 9.191) 10.432 1.487 ( 0.000 9.725 9.700) 13.736 1.623 ( -0.000 11.555 -10.608) 15.686 2.289 ( 0.000 7.425 4.301) 8.581 2.656 ( -0.000 5.442 -1.071) 5.546 5.310 ( -0.000 5.180 0.089) 5.181 6.241 ( -0.000 26.611 -0.996) 26.629 6.288 ( 0.000 -2.952 0.766) 3.050 6.359 ( 0.000 -2.385 0.095) 2.387 8.181 ( 0.000 -15.111 1.354) 15.172 8.323 ( -0.000 -3.120 -2.061) 3.739======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 0.000 -0.000 9.651) 9.651 1.106 ( 0.000 -0.000 9.651) 9.651 1.321 ( -0.000 0.000 -7.745) 7.745 1.321 ( -0.000 0.000 -7.745) 7.745 2.186 ( 0.000 -0.000 16.947) 16.947 2.756 ( -0.000 0.000 -14.156) 14.156 5.211 ( 0.000 -0.000 0.299) 0.299 5.211 ( 0.000 -0.000 0.299) 0.299 6.415 ( -0.000 0.000 -0.167) 0.167 6.415 ( -0.000 0.000 -0.167) 0.167 8.392 ( 0.000 -0.000 0.627) 0.627 8.547 ( -0.000 0.000 -0.356) 0.356======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 1.044 0.603 14.188) 14.239 1.243 ( 7.010 4.047 -14.008) 16.179 1.369 ( 4.793 2.767 -10.473) 11.845 1.370 ( 6.958 4.017 12.544) 14.897 2.215 ( 0.631 0.364 5.079) 5.131 2.658 ( -3.720 -2.148 -4.416) 6.161 5.236 ( 2.203 1.272 0.020) 2.544 5.598 ( 28.939 16.708 -0.676) 33.422 6.378 ( -3.146 -1.816 0.018) 3.633 6.399 ( -1.335 -0.771 -0.098) 1.545 8.371 ( -1.882 -1.086 0.166) 2.179 8.440 ( -8.899 -5.138 0.048) 10.276=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 396.923 396.923 615.700 0.000 0.000 -0.000 3/40500 20.0 102.837 102.837 100.741 0.000 -0.000 -0.000 3/40500 30.0 56.009 56.009 46.492 0.000 -0.000 -0.000 3/40500 40.0 38.435 38.435 29.320 0.000 -0.000 -0.000 3/40500 50.0 28.714 28.714 21.076 0.000 -0.000 -0.000 3/40500 60.0 22.508 22.508 16.266 0.000 -0.000 -0.000 3/40500 70.0 18.299 18.299 13.154 0.000 -0.000 -0.000 3/40500 80.0 15.323 15.323 11.004 0.000 -0.000 -0.000 3/40500 90.0 13.144 13.144 9.444 0.000 -0.000 -0.000 3/40500 100.0 11.494 11.494 8.269 0.000 -0.000 -0.000 3/40500 110.0 10.211 10.211 7.355 0.000 -0.000 -0.000 3/40500 120.0 9.186 9.186 6.625 0.000 -0.000 -0.000 3/40500 130.0 8.351 8.351 6.029 0.000 -0.000 -0.000 3/40500 140.0 7.658 7.658 5.534 0.000 -0.000 -0.000 3/40500 150.0 7.073 7.073 5.115 0.000 -0.000 -0.000 3/40500 160.0 6.574 6.574 4.757 0.000 -0.000 -0.000 3/40500 170.0 6.142 6.142 4.447 0.000 -0.000 -0.000 3/40500 180.0 5.765 5.765 4.176 0.000 -0.000 -0.000 3/40500 190.0 5.433 5.433 3.937 0.000 -0.000 -0.000 3/40500 200.0 5.137 5.137 3.725 0.000 -0.000 -0.000 3/40500 210.0 4.873 4.873 3.534 0.000 -0.000 -0.000 3/40500 220.0 4.636 4.636 3.363 0.000 -0.000 -0.000 3/40500 230.0 4.421 4.421 3.208 0.000 -0.000 -0.000 3/40500 240.0 4.225 4.225 3.067 0.000 -0.000 -0.000 3/40500 250.0 4.047 4.047 2.938 0.000 -0.000 -0.000 3/40500 260.0 3.883 3.883 2.819 0.000 -0.000 -0.000 3/40500 270.0 3.732 3.732 2.710 0.000 -0.000 -0.000 3/40500 280.0 3.593 3.593 2.609 0.000 -0.000 -0.000 3/40500 290.0 3.464 3.464 2.516 0.000 -0.000 -0.000 3/40500 300.0 3.344 3.344 2.429 0.000 -0.000 -0.000 3/40500 310.0 3.232 3.232 2.348 0.000 -0.000 -0.000 3/40500 320.0 3.128 3.128 2.272 0.000 -0.000 -0.000 3/40500 330.0 3.030 3.030 2.201 0.000 -0.000 -0.000 3/40500 340.0 2.938 2.938 2.135 0.000 -0.000 -0.000 3/40500 350.0 2.852 2.852 2.072 0.000 -0.000 -0.000 3/40500 360.0 2.770 2.770 2.013 0.000 -0.000 -0.000 3/40500 370.0 2.693 2.693 1.957 0.000 -0.000 -0.000 3/40500 380.0 2.621 2.621 1.905 0.000 -0.000 -0.000 3/40500 390.0 2.552 2.552 1.855 0.000 -0.000 -0.000 3/40500 400.0 2.487 2.487 1.807 0.000 -0.000 -0.000 3/40500 410.0 2.425 2.425 1.762 0.000 -0.000 -0.000 3/40500 420.0 2.366 2.366 1.720 0.000 -0.000 -0.000 3/40500 430.0 2.310 2.310 1.679 0.000 -0.000 -0.000 3/40500 440.0 2.257 2.257 1.640 0.000 -0.000 -0.000 3/40500 450.0 2.206 2.206 1.603 0.000 -0.000 -0.000 3/40500 460.0 2.157 2.157 1.568 0.000 -0.000 -0.000 3/40500 470.0 2.110 2.110 1.534 0.000 -0.000 -0.000 3/40500 480.0 2.066 2.066 1.502 0.000 -0.000 -0.000 3/40500 490.0 2.023 2.023 1.471 0.000 -0.000 -0.000 3/40500 500.0 1.982 1.982 1.441 0.000 -0.000 -0.000 3/40500 510.0 1.942 1.942 1.412 0.000 -0.000 -0.000 3/40500 520.0 1.905 1.905 1.385 0.000 -0.000 -0.000 3/40500 530.0 1.868 1.868 1.358 0.000 -0.000 -0.000 3/40500 540.0 1.833 1.833 1.333 0.000 -0.000 -0.000 3/40500 550.0 1.800 1.800 1.308 0.000 -0.000 -0.000 3/40500 560.0 1.767 1.767 1.285 0.000 -0.000 -0.000 3/40500 570.0 1.736 1.736 1.262 0.000 -0.000 -0.000 3/40500 580.0 1.706 1.706 1.240 0.000 -0.000 -0.000 3/40500 590.0 1.676 1.676 1.219 0.000 -0.000 -0.000 3/40500 600.0 1.648 1.648 1.198 0.000 -0.000 -0.000 3/40500 610.0 1.621 1.621 1.178 0.000 -0.000 -0.000 3/40500 620.0 1.594 1.594 1.159 0.000 -0.000 -0.000 3/40500 630.0 1.569 1.569 1.141 0.000 -0.000 -0.000 3/40500 640.0 1.544 1.544 1.123 0.000 -0.000 -0.000 3/40500 650.0 1.520 1.520 1.105 0.000 -0.000 -0.000 3/40500 660.0 1.497 1.497 1.089 0.000 -0.000 -0.000 3/40500 670.0 1.475 1.475 1.072 0.000 -0.000 -0.000 3/40500 680.0 1.453 1.453 1.056 0.000 -0.000 -0.000 3/40500 690.0 1.432 1.432 1.041 0.000 -0.000 -0.000 3/40500 700.0 1.411 1.411 1.026 0.000 -0.000 -0.000 3/40500 710.0 1.391 1.391 1.011 0.000 -0.000 -0.000 3/40500 720.0 1.372 1.372 0.997 0.000 -0.000 -0.000 3/40500 730.0 1.353 1.353 0.984 0.000 -0.000 -0.000 3/40500 740.0 1.334 1.334 0.970 0.000 -0.000 -0.000 3/40500 750.0 1.316 1.316 0.957 0.000 -0.000 -0.000 3/40500 760.0 1.299 1.299 0.944 0.000 -0.000 -0.000 3/40500 770.0 1.282 1.282 0.932 0.000 -0.000 -0.000 3/40500 780.0 1.265 1.265 0.920 0.000 -0.000 -0.000 3/40500 790.0 1.249 1.249 0.908 0.000 -0.000 -0.000 3/40500 800.0 1.234 1.234 0.897 0.000 -0.000 -0.000 3/40500 810.0 1.218 1.218 0.886 0.000 -0.000 -0.000 3/40500 820.0 1.203 1.203 0.875 0.000 -0.000 -0.000 3/40500 830.0 1.189 1.189 0.864 0.000 -0.000 -0.000 3/40500 840.0 1.175 1.175 0.854 0.000 -0.000 -0.000 3/40500 850.0 1.161 1.161 0.844 0.000 -0.000 -0.000 3/40500 860.0 1.147 1.147 0.834 0.000 -0.000 -0.000 3/40500 870.0 1.134 1.134 0.825 0.000 -0.000 -0.000 3/40500 880.0 1.121 1.121 0.815 0.000 -0.000 -0.000 3/40500 890.0 1.108 1.108 0.806 0.000 -0.000 -0.000 3/40500 900.0 1.096 1.096 0.797 0.000 -0.000 -0.000 3/40500 910.0 1.084 1.084 0.788 0.000 -0.000 -0.000 3/40500 920.0 1.072 1.072 0.780 0.000 -0.000 -0.000 3/40500 930.0 1.061 1.061 0.771 0.000 -0.000 -0.000 3/40500 940.0 1.049 1.049 0.763 0.000 -0.000 -0.000 3/40500 950.0 1.038 1.038 0.755 0.000 -0.000 -0.000 3/40500 960.0 1.027 1.027 0.747 0.000 -0.000 -0.000 3/40500 970.0 1.017 1.017 0.739 0.000 -0.000 -0.000 3/40500 980.0 1.006 1.006 0.732 0.000 -0.000 -0.000 3/40500 990.0 0.996 0.996 0.724 0.000 -0.000 -0.000 3/40500 1000.0 0.986 0.986 0.717 0.000 -0.000 -0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:13:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|