# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/4b2e8a98-5d32-45a7-864a-857913a082c0/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 NdTlSe2 / R-3m (166) / materials id 568588](https://mdr.nims.go.jp/datasets/f6b741a3-348e-4a75-b731-9274687a00a4) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:08:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.120550010582254 1.224300119439726 7.564227229999992 b -2.120550010582250 1.224300119439726 7.564227229999992 c 0.000000000000003 -2.448600238879456 7.564227229999992Atomic positions (fractional): *1 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 *2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 *3 Se 0.73863350819545 0.73863350819545 0.73863350819545 78.960 4 Se 0.26136649180455 0.26136649180455 0.26136649180455 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.241100021164504 0.000000000000000 0.000000000000000 b -2.120550010582253 3.672900358319182 0.000000000000000 c 0.000000000000000 0.000000000000000 22.692681690000001Atomic positions (fractional): *1 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 1 2 Nd 0.66666666666667 0.33333333333333 0.33333333333333 144.242 > 1 3 Nd 0.33333333333333 0.66666666666667 0.66666666666667 144.242 > 1 *4 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 2 5 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 6 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 2 *7 Se 0.66666666666667 0.33333333333333 0.07196684152878 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.26136649180455 78.960 > 4 9 Se 0.33333333333333 0.66666666666667 0.40530017486211 78.960 > 3 10 Se 0.66666666666667 0.33333333333333 0.59469982513789 78.960 > 4 11 Se 0.00000000000000 0.00000000000000 0.73863350819545 78.960 > 3 12 Se 0.33333333333333 0.66666666666667 0.92803315847122 78.960 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.723300063493513 0.000000000000000 0.000000000000000 b -6.361650031746759 11.018701074957546 0.000000000000000 c 0.000000000000000 0.000000000000000 22.692681690000001Atomic positions (fractional): *1 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 1 2 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 1 3 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 1 4 Nd 0.00000000000000 0.33333333333333 0.00000000000000 144.242 > 1 5 Nd 0.33333333333333 0.33333333333333 0.00000000000000 144.242 > 1 6 Nd 0.66666666666667 0.33333333333333 0.00000000000000 144.242 > 1 7 Nd 0.00000000000000 0.66666666666667 0.00000000000000 144.242 > 1 8 Nd 0.33333333333333 0.66666666666667 0.00000000000000 144.242 > 1 9 Nd 0.66666666666667 0.66666666666667 0.00000000000000 144.242 > 1 10 Nd 0.22222222222222 0.11111111111111 0.33333333333333 144.242 > 1 11 Nd 0.55555555555556 0.11111111111111 0.33333333333333 144.242 > 1 12 Nd 0.88888888888889 0.11111111111111 0.33333333333333 144.242 > 1 13 Nd 0.22222222222222 0.44444444444444 0.33333333333333 144.242 > 1 14 Nd 0.55555555555556 0.44444444444444 0.33333333333333 144.242 > 1 15 Nd 0.88888888888889 0.44444444444444 0.33333333333333 144.242 > 1 16 Nd 0.22222222222222 0.77777777777778 0.33333333333333 144.242 > 1 17 Nd 0.55555555555556 0.77777777777778 0.33333333333333 144.242 > 1 18 Nd 0.88888888888889 0.77777777777778 0.33333333333333 144.242 > 1 19 Nd 0.11111111111111 0.22222222222222 0.66666666666667 144.242 > 1 20 Nd 0.44444444444444 0.22222222222222 0.66666666666667 144.242 > 1 21 Nd 0.77777777777778 0.22222222222222 0.66666666666667 144.242 > 1 22 Nd 0.11111111111111 0.55555555555556 0.66666666666667 144.242 > 1 23 Nd 0.44444444444444 0.55555555555556 0.66666666666667 144.242 > 1 24 Nd 0.77777777777778 0.55555555555556 0.66666666666667 144.242 > 1 25 Nd 0.11111111111111 0.88888888888889 0.66666666666667 144.242 > 1 26 Nd 0.44444444444444 0.88888888888889 0.66666666666667 144.242 > 1 27 Nd 0.77777777777778 0.88888888888889 0.66666666666667 144.242 > 1 *28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 2 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 2 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 2 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 2 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 2 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 2 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 2 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 2 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 2 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 2 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 2 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 2 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 2 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 2 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 2 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 2 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 2 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 2 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 2 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 2 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 2 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 2 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 2 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 2 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 2 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 2 *55 Se 0.22222222222222 0.11111111111111 0.07196684152878 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.07196684152878 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.07196684152878 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.07196684152878 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.07196684152878 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.07196684152878 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.07196684152878 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.07196684152878 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.07196684152878 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.26136649180455 78.960 > 4 65 Se 0.33333333333333 0.00000000000000 0.26136649180455 78.960 > 4 66 Se 0.66666666666667 0.00000000000000 0.26136649180455 78.960 > 4 67 Se 0.00000000000000 0.33333333333333 0.26136649180455 78.960 > 4 68 Se 0.33333333333333 0.33333333333333 0.26136649180455 78.960 > 4 69 Se 0.66666666666667 0.33333333333333 0.26136649180455 78.960 > 4 70 Se 0.00000000000000 0.66666666666667 0.26136649180455 78.960 > 4 71 Se 0.33333333333333 0.66666666666667 0.26136649180455 78.960 > 4 72 Se 0.66666666666667 0.66666666666667 0.26136649180455 78.960 > 4 73 Se 0.11111111111111 0.22222222222222 0.40530017486211 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.40530017486211 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.40530017486211 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.40530017486211 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.40530017486211 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.40530017486211 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.40530017486211 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.40530017486211 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.40530017486211 78.960 > 3 82 Se 0.22222222222222 0.11111111111111 0.59469982513789 78.960 > 4 83 Se 0.55555555555556 0.11111111111111 0.59469982513789 78.960 > 4 84 Se 0.88888888888889 0.11111111111111 0.59469982513789 78.960 > 4 85 Se 0.22222222222222 0.44444444444444 0.59469982513789 78.960 > 4 86 Se 0.55555555555556 0.44444444444444 0.59469982513789 78.960 > 4 87 Se 0.88888888888889 0.44444444444444 0.59469982513789 78.960 > 4 88 Se 0.22222222222222 0.77777777777778 0.59469982513789 78.960 > 4 89 Se 0.55555555555556 0.77777777777778 0.59469982513789 78.960 > 4 90 Se 0.88888888888889 0.77777777777778 0.59469982513789 78.960 > 4 91 Se 0.00000000000000 0.00000000000000 0.73863350819545 78.960 > 3 92 Se 0.33333333333333 0.00000000000000 0.73863350819545 78.960 > 3 93 Se 0.66666666666667 0.00000000000000 0.73863350819545 78.960 > 3 94 Se 0.00000000000000 0.33333333333333 0.73863350819545 78.960 > 3 95 Se 0.33333333333333 0.33333333333333 0.73863350819545 78.960 > 3 96 Se 0.66666666666667 0.33333333333333 0.73863350819545 78.960 > 3 97 Se 0.00000000000000 0.66666666666667 0.73863350819545 78.960 > 3 98 Se 0.33333333333333 0.66666666666667 0.73863350819545 78.960 > 3 99 Se 0.66666666666667 0.66666666666667 0.73863350819545 78.960 > 3 100 Se 0.11111111111111 0.22222222222222 0.92803315847122 78.960 > 4 101 Se 0.44444444444444 0.22222222222222 0.92803315847122 78.960 > 4 102 Se 0.77777777777778 0.22222222222222 0.92803315847122 78.960 > 4 103 Se 0.11111111111111 0.55555555555556 0.92803315847122 78.960 > 4 104 Se 0.44444444444444 0.55555555555556 0.92803315847122 78.960 > 4 105 Se 0.77777777777778 0.55555555555556 0.92803315847122 78.960 > 4 106 Se 0.11111111111111 0.88888888888889 0.92803315847122 78.960 > 4 107 Se 0.44444444444444 0.88888888888889 0.92803315847122 78.960 > 4 108 Se 0.77777777777778 0.88888888888889 0.92803315847122 78.960 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.0163936 0.0000000 0.0000000 0.0000000 9.0163936 0.0000000 0.0000000 0.0000000 9.0220583-------------------------- Born effective charges -------------------------- 1 Nd 4.5291658 0.0000000 0.0000000 0.0000000 4.5291658 0.0000000 0.0000000 0.0000000 2.7068784 2 Tl 1.7552113 0.0000000 0.0000000 0.0000000 1.7552113 0.0000000 0.0000000 0.0000000 3.1130438 3 Se -3.1421885 -0.0000000 0.0000000 0.0000000 -3.1421885 0.0000000 0.0000000 0.0000000 -2.9099611 4 Se -3.1421885 -0.0000000 0.0000000 0.0000000 -3.1421885 0.0000000 0.0000000 0.0000000 -2.9099611----------------------------------------------------------------------------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: 214Finding 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): 0.005Solver_block: 80 / 80 - Time: 0.123Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.130--------------------------------- 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: 214Finding 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:08:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:08:07]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.120550010582254 1.224300119439726 7.564227229999992 b -2.120550010582250 1.224300119439726 7.564227229999992 c 0.000000000000003 -2.448600238879456 7.564227229999992Atomic positions (fractional): 1 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73863350819545 0.73863350819545 0.73863350819545 78.960 4 Se 0.26136649180455 0.26136649180455 0.26136649180455 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.723300063493513 0.000000000000000 0.000000000000000 b -6.361650031746759 11.018701074957546 0.000000000000000 c 0.000000000000000 0.000000000000000 22.692681690000001Atomic positions (fractional): 1 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 1 2 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 1 3 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 1 4 Nd 0.00000000000000 0.33333333333333 0.00000000000000 144.242 > 1 5 Nd 0.33333333333333 0.33333333333333 0.00000000000000 144.242 > 1 6 Nd 0.66666666666667 0.33333333333333 0.00000000000000 144.242 > 1 7 Nd 0.00000000000000 0.66666666666667 0.00000000000000 144.242 > 1 8 Nd 0.33333333333333 0.66666666666667 0.00000000000000 144.242 > 1 9 Nd 0.66666666666667 0.66666666666667 0.00000000000000 144.242 > 1 10 Nd 0.22222222222222 0.11111111111111 0.33333333333333 144.242 > 1 11 Nd 0.55555555555556 0.11111111111111 0.33333333333333 144.242 > 1 12 Nd 0.88888888888889 0.11111111111111 0.33333333333333 144.242 > 1 13 Nd 0.22222222222222 0.44444444444444 0.33333333333333 144.242 > 1 14 Nd 0.55555555555556 0.44444444444444 0.33333333333333 144.242 > 1 15 Nd 0.88888888888889 0.44444444444444 0.33333333333333 144.242 > 1 16 Nd 0.22222222222222 0.77777777777778 0.33333333333333 144.242 > 1 17 Nd 0.55555555555556 0.77777777777778 0.33333333333333 144.242 > 1 18 Nd 0.88888888888889 0.77777777777778 0.33333333333333 144.242 > 1 19 Nd 0.11111111111111 0.22222222222222 0.66666666666667 144.242 > 1 20 Nd 0.44444444444444 0.22222222222222 0.66666666666667 144.242 > 1 21 Nd 0.77777777777778 0.22222222222222 0.66666666666667 144.242 > 1 22 Nd 0.11111111111111 0.55555555555556 0.66666666666667 144.242 > 1 23 Nd 0.44444444444444 0.55555555555556 0.66666666666667 144.242 > 1 24 Nd 0.77777777777778 0.55555555555556 0.66666666666667 144.242 > 1 25 Nd 0.11111111111111 0.88888888888889 0.66666666666667 144.242 > 1 26 Nd 0.44444444444444 0.88888888888889 0.66666666666667 144.242 > 1 27 Nd 0.77777777777778 0.88888888888889 0.66666666666667 144.242 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.07196684152878 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.07196684152878 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.07196684152878 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.07196684152878 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.07196684152878 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.07196684152878 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.07196684152878 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.07196684152878 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.07196684152878 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26136649180455 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26136649180455 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26136649180455 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26136649180455 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26136649180455 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26136649180455 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26136649180455 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26136649180455 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26136649180455 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40530017486211 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40530017486211 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40530017486211 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40530017486211 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40530017486211 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40530017486211 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40530017486211 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40530017486211 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40530017486211 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59469982513789 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59469982513789 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59469982513789 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59469982513789 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59469982513789 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59469982513789 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59469982513789 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59469982513789 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59469982513789 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73863350819545 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73863350819545 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73863350819545 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73863350819545 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73863350819545 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73863350819545 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73863350819545 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73863350819545 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73863350819545 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.92803315847122 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.92803315847122 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.92803315847122 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.92803315847122 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.92803315847122 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.92803315847122 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.92803315847122 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.92803315847122 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.92803315847122 78.960 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.0163936 0.0000000 0.0000000 0.0000000 9.0163936 0.0000000 0.0000000 0.0000000 9.0220583-------------------------- Born effective charges -------------------------- 1 Nd 4.5291658 0.0000000 0.0000000 0.0000000 4.5291658 0.0000000 0.0000000 0.0000000 2.7068784 2 Tl 1.7552113 0.0000000 0.0000000 0.0000000 1.7552113 0.0000000 0.0000000 0.0000000 3.1130438 3 Se -3.1421885 -0.0000000 0.0000000 0.0000000 -3.1421885 0.0000000 0.0000000 0.0000000 -2.9099611 4 Se -3.1421885 -0.0000000 0.0000000 0.0000000 -3.1421885 0.0000000 0.0000000 0.0000000 -2.9099611----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy)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 2026-01-08 18:08:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:08:12]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.120550010582254 1.224300119439726 7.564227229999992 b -2.120550010582250 1.224300119439726 7.564227229999992 c 0.000000000000003 -2.448600238879456 7.564227229999992Atomic positions (fractional): 1 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73863350819545 0.73863350819545 0.73863350819545 78.960 4 Se 0.26136649180455 0.26136649180455 0.26136649180455 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.723300063493513 0.000000000000000 0.000000000000000 b -6.361650031746759 11.018701074957546 0.000000000000000 c 0.000000000000000 0.000000000000000 22.692681690000001Atomic positions (fractional): 1 Nd 0.00000000000000 0.00000000000000 0.00000000000000 144.242 > 1 2 Nd 0.33333333333333 0.00000000000000 0.00000000000000 144.242 > 1 3 Nd 0.66666666666667 0.00000000000000 0.00000000000000 144.242 > 1 4 Nd 0.00000000000000 0.33333333333333 0.00000000000000 144.242 > 1 5 Nd 0.33333333333333 0.33333333333333 0.00000000000000 144.242 > 1 6 Nd 0.66666666666667 0.33333333333333 0.00000000000000 144.242 > 1 7 Nd 0.00000000000000 0.66666666666667 0.00000000000000 144.242 > 1 8 Nd 0.33333333333333 0.66666666666667 0.00000000000000 144.242 > 1 9 Nd 0.66666666666667 0.66666666666667 0.00000000000000 144.242 > 1 10 Nd 0.22222222222222 0.11111111111111 0.33333333333333 144.242 > 1 11 Nd 0.55555555555556 0.11111111111111 0.33333333333333 144.242 > 1 12 Nd 0.88888888888889 0.11111111111111 0.33333333333333 144.242 > 1 13 Nd 0.22222222222222 0.44444444444444 0.33333333333333 144.242 > 1 14 Nd 0.55555555555556 0.44444444444444 0.33333333333333 144.242 > 1 15 Nd 0.88888888888889 0.44444444444444 0.33333333333333 144.242 > 1 16 Nd 0.22222222222222 0.77777777777778 0.33333333333333 144.242 > 1 17 Nd 0.55555555555556 0.77777777777778 0.33333333333333 144.242 > 1 18 Nd 0.88888888888889 0.77777777777778 0.33333333333333 144.242 > 1 19 Nd 0.11111111111111 0.22222222222222 0.66666666666667 144.242 > 1 20 Nd 0.44444444444444 0.22222222222222 0.66666666666667 144.242 > 1 21 Nd 0.77777777777778 0.22222222222222 0.66666666666667 144.242 > 1 22 Nd 0.11111111111111 0.55555555555556 0.66666666666667 144.242 > 1 23 Nd 0.44444444444444 0.55555555555556 0.66666666666667 144.242 > 1 24 Nd 0.77777777777778 0.55555555555556 0.66666666666667 144.242 > 1 25 Nd 0.11111111111111 0.88888888888889 0.66666666666667 144.242 > 1 26 Nd 0.44444444444444 0.88888888888889 0.66666666666667 144.242 > 1 27 Nd 0.77777777777778 0.88888888888889 0.66666666666667 144.242 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.07196684152878 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.07196684152878 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.07196684152878 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.07196684152878 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.07196684152878 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.07196684152878 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.07196684152878 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.07196684152878 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.07196684152878 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26136649180455 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26136649180455 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26136649180455 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26136649180455 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26136649180455 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26136649180455 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26136649180455 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26136649180455 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26136649180455 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40530017486211 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40530017486211 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40530017486211 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40530017486211 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40530017486211 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40530017486211 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40530017486211 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40530017486211 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40530017486211 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59469982513789 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59469982513789 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59469982513789 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59469982513789 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59469982513789 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59469982513789 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59469982513789 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59469982513789 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59469982513789 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73863350819545 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73863350819545 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73863350819545 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73863350819545 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73863350819545 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73863350819545 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73863350819545 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73863350819545 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73863350819545 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.92803315847122 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.92803315847122 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.92803315847122 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.92803315847122 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.92803315847122 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.92803315847122 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.92803315847122 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.92803315847122 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.92803315847122 78.960 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.0163936 0.0000000 0.0000000 0.0000000 9.0163936 0.0000000 0.0000000 0.0000000 9.0220583-------------------------- Born effective charges -------------------------- 1 Nd 4.5291658 0.0000000 0.0000000 0.0000000 4.5291658 0.0000000 0.0000000 0.0000000 2.7068784 2 Tl 1.7552113 0.0000000 0.0000000 0.0000000 1.7552113 0.0000000 0.0000000 0.0000000 3.1130438 3 Se -3.1421885 -0.0000000 0.0000000 0.0000000 -3.1421885 0.0000000 0.0000000 0.0000000 -2.9099611 4 Se -3.1421885 -0.0000000 0.0000000 0.0000000 -3.1421885 0.0000000 0.0000000 0.0000000 -2.9099611----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 313, Lambda: 0.27Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.272 ( 13.609 7.857 -8.793) 18.007 0.319 ( 15.714 9.073 -13.698) 22.735 0.654 ( 24.568 14.184 17.296) 33.225 1.386 ( 1.449 0.836 -0.084) 1.675 1.476 ( 5.149 2.973 -1.581) 6.152 2.052 ( -0.003 -0.002 7.251) 7.251 3.649 ( 0.697 0.403 -0.184) 0.826 3.821 ( -1.017 -0.587 0.585) 1.312 3.828 ( -0.148 -0.085 -0.687) 0.708 4.537 ( -2.406 -1.389 -4.578) 5.355 4.701 ( -1.722 -0.994 -3.838) 4.322 5.464 ( -1.970 -1.138 -1.468) 2.708======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( 13.592 7.847 -7.013) 17.190 0.610 ( 13.630 7.869 -12.453) 20.069 1.134 ( 12.490 7.211 10.296) 17.721 1.438 ( 3.316 1.914 -0.258) 3.837 1.692 ( 15.334 8.853 0.869) 17.728 2.075 ( 0.750 0.433 0.746) 1.143 3.669 ( 1.170 0.676 -0.490) 1.437 3.793 ( -1.623 -0.937 1.028) 2.137 3.829 ( 0.505 0.292 0.335) 0.673 4.461 ( -3.511 -2.027 -0.847) 4.142 4.604 ( -6.891 -3.979 3.629) 8.746 5.396 ( -2.740 -1.582 -7.187) 7.853======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( 11.187 6.459 -4.927) 13.825 0.847 ( 10.729 6.194 -11.225) 16.717 1.305 ( 2.764 1.596 2.667) 4.159 1.543 ( 6.381 3.684 -0.644) 7.397 2.081 ( 1.520 0.878 -2.567) 3.109 2.123 ( 18.723 10.810 2.101) 21.721 3.694 ( 1.075 0.621 -0.702) 1.426 3.760 ( -1.415 -0.817 1.094) 1.966 3.863 ( 2.050 1.184 3.200) 3.981 4.338 ( -10.244 -5.914 7.193) 13.844 4.460 ( -3.840 -2.217 -2.310) 4.999 5.299 ( -3.551 -2.050 -8.772) 9.683======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 6.522 3.766 -2.978) 8.099 1.026 ( 8.455 4.882 -9.819) 13.847 1.324 ( -0.586 -0.338 -1.235) 1.408 1.723 ( 9.628 5.559 -1.204) 11.183 2.070 ( -1.069 -0.617 -0.094) 1.238 2.546 ( 17.253 9.961 -1.462) 19.975 3.704 ( -0.321 -0.185 0.637) 0.737 3.747 ( 0.229 0.132 -0.457) 0.528 3.930 ( 2.157 1.245 5.283) 5.841 4.064 ( -14.059 -8.117 2.456) 16.419 4.422 ( 0.172 0.100 -0.301) 0.361 5.185 ( -4.249 -2.453 -7.596) 9.043======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 3.009 1.737 -1.577) 3.816 1.169 ( 5.602 3.234 -5.834) 8.711 1.307 ( 1.491 0.861 -3.958) 4.316 1.941 ( 9.431 5.445 -1.409) 10.981 2.026 ( -3.512 -2.028 3.192) 5.161 2.873 ( 12.281 7.091 -2.238) 14.357 3.695 ( -0.536 -0.309 1.584) 1.701 3.742 ( -13.324 -7.692 -1.444) 15.452 3.756 ( 0.636 0.367 -1.489) 1.660 3.988 ( 0.914 0.527 2.360) 2.585 4.461 ( 2.998 1.731 1.342) 3.713 5.066 ( -4.418 -2.551 -4.696) 6.934======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 1.172 0.677 -0.670) 1.510 1.190 ( -0.880 -0.508 -1.498) 1.810 1.440 ( 9.733 5.619 -4.862) 12.245 1.921 ( -6.988 -4.035 4.622) 9.299 2.111 ( 5.612 3.240 -0.967) 6.552 3.083 ( 6.789 3.920 -0.181) 7.841 3.480 ( -8.530 -4.925 -4.351) 10.768 3.692 ( -0.153 -0.088 1.274) 1.286 3.762 ( 0.276 0.159 -1.193) 1.234 3.998 ( -0.247 -0.143 0.916) 0.960 4.546 ( 3.607 2.083 0.680) 4.220 4.965 ( -3.489 -2.015 -1.534) 4.311======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.598 ( -0.000 -0.000 0.000) 0.000 1.798 ( 0.000 0.000 -0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 3.169 ( -0.000 -0.000 -0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 -0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 -0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.393 ( -0.000 14.664 15.305) 21.196 0.419 ( 0.000 21.433 -2.658) 21.597 0.578 ( -0.000 25.118 10.159) 27.094 1.383 ( 0.000 1.629 -0.732) 1.786 1.471 ( 0.000 6.410 -2.237) 6.789 2.085 ( -0.000 -3.490 12.856) 13.321 3.652 ( -0.000 0.930 0.432) 1.026 3.813 ( 0.000 -1.508 -1.065) 1.846 3.833 ( -0.000 -0.054 0.184) 0.191 4.497 ( 0.000 -1.749 -14.992) 15.094 4.667 ( 0.000 1.510 -6.413) 6.588 5.488 ( -0.000 -2.612 2.533) 3.639======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.433 ( -3.480 13.742 10.429) 17.599 0.674 ( 3.241 21.535 -9.816) 23.888 1.028 ( 14.593 12.457 12.478) 22.888 1.420 ( 1.979 3.114 -0.511) 3.724 1.601 ( 7.222 11.608 -0.846) 13.697 2.084 ( -0.588 -0.255 3.615) 3.671 3.659 ( -0.042 0.618 0.222) 0.658 3.793 ( -0.052 -1.945 -0.644) 2.050 3.833 ( 0.097 0.489 0.362) 0.616 4.440 ( 0.658 -3.881 -8.030) 8.943 4.648 ( -1.497 -4.419 2.578) 5.331 5.420 ( -4.304 -1.579 -3.831) 5.974======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 7.541 8.212 2.109) 11.347 0.887 ( 3.245 16.517 -8.269) 18.754 1.274 ( 4.492 2.673 4.113) 6.651 1.509 ( 3.565 5.866 -0.214) 6.868 1.952 ( 15.490 16.127 0.490) 22.367 2.082 ( 0.067 0.535 -0.555) 0.774 3.667 ( 0.909 -0.565 0.464) 1.166 3.770 ( -0.397 -1.547 0.280) 1.621 3.860 ( 1.397 1.959 1.656) 2.921 4.392 ( -0.116 -4.045 -2.002) 4.515 4.530 ( -7.498 -6.103 4.289) 10.576 5.306 ( -4.341 -2.492 -8.126) 9.544======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( 9.540 4.296 -2.587) 10.778 1.045 ( 2.393 10.794 -5.988) 12.574 1.323 ( 0.263 -0.183 -0.407) 0.518 1.659 ( 6.095 8.633 -0.711) 10.592 2.064 ( 0.125 -0.784 -1.748) 1.919 2.387 ( 15.318 14.806 -0.370) 21.307 3.677 ( 1.097 -1.885 0.506) 2.239 3.757 ( -0.482 0.280 0.414) 0.694 3.924 ( 2.405 2.338 3.320) 4.719 4.269 ( -13.040 -4.783 5.353) 14.886 4.396 ( 0.369 -2.962 -2.209) 3.714 5.181 ( -3.344 -4.391 -8.484) 10.121======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( 8.346 2.254 -3.763) 9.429 1.146 ( 1.824 6.385 -3.998) 7.751 1.303 ( -0.947 -0.256 -2.452) 2.641 1.862 ( 7.219 8.485 -0.785) 11.168 2.052 ( -0.298 -0.818 1.029) 1.348 2.743 ( 12.272 10.926 -1.895) 16.540 3.663 ( 0.111 -3.840 -0.471) 3.871 3.756 ( -1.143 1.197 0.320) 1.686 3.977 ( -4.972 -0.461 0.180) 4.996 4.002 ( -9.614 1.585 3.724) 10.431 4.414 ( 3.656 -0.670 0.196) 3.722 5.060 ( -2.278 -5.889 -6.003) 8.712======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 4.341 1.242 -2.025) 4.949 1.192 ( -0.195 0.616 -1.865) 1.973 1.334 ( 5.411 4.283 -3.868) 7.912 1.950 ( -1.224 -4.739 3.289) 5.897 2.115 ( 2.984 10.198 -0.967) 10.670 2.998 ( 8.511 6.252 -0.627) 10.579 3.558 ( -6.697 -5.613 -3.588) 9.446 3.732 ( -2.768 1.305 2.184) 3.759 3.828 ( -6.047 5.706 -1.284) 8.413 4.007 ( -0.390 0.158 1.150) 1.224 4.493 ( 4.761 1.046 0.474) 4.897 4.956 ( -1.270 -6.248 -2.582) 6.878======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 0.894 0.854 -0.879) 1.516 1.176 ( -0.438 -0.151 -0.518) 0.695 1.497 ( 8.796 2.339 -3.580) 9.780 1.841 ( -5.214 -5.361 3.089) 8.091 2.234 ( -1.033 9.236 -0.922) 9.339 3.145 ( 3.745 1.939 0.668) 4.270 3.401 ( -4.543 -0.793 -1.318) 4.796 3.718 ( -1.652 1.636 1.414) 2.721 3.813 ( -2.932 5.354 -0.729) 6.148 3.999 ( -0.437 -0.079 0.030) 0.445 4.574 ( 2.926 0.537 0.199) 2.982 4.885 ( 0.518 -5.335 -0.810) 5.421======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -0.718 0.026 -0.011) 0.719 1.183 ( 0.895 0.510 0.782) 1.294 1.521 ( -4.361 -6.456 1.290) 7.896 1.809 ( 5.387 1.312 -3.324) 6.464 2.238 ( -6.963 5.727 -0.009) 9.016 3.138 ( -3.478 -2.280 -0.633) 4.206 3.434 ( 4.407 4.489 5.367) 8.269 3.711 ( -1.437 1.822 -0.018) 2.321 3.818 ( -2.600 5.403 0.448) 6.013 3.996 ( 0.023 0.237 -0.689) 0.729 4.575 ( -2.291 -2.050 0.436) 3.105 4.887 ( 5.126 -3.064 -0.360) 5.982======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( -2.448 -2.419 1.403) 3.716 1.209 ( 0.461 0.264 1.802) 1.879 1.372 ( -5.628 -3.562 3.972) 7.755 1.913 ( 6.010 -0.878 -4.548) 7.588 2.122 ( -10.667 2.355 0.474) 10.934 3.007 ( -8.707 -4.122 1.470) 9.745 3.602 ( 6.688 3.006 5.587) 9.218 3.712 ( -0.169 3.137 -1.860) 3.651 3.842 ( -1.648 7.767 1.469) 8.074 3.993 ( -0.534 0.168 -1.707) 1.797 4.486 ( -3.808 -3.428 -1.206) 5.264 4.980 ( 7.653 -1.653 2.425) 8.197======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( -5.011 -6.605 3.952) 9.184 1.182 ( -4.674 0.485 3.488) 5.852 1.329 ( -0.294 0.406 3.006) 3.048 1.868 ( -9.811 -2.414 0.469) 10.115 2.038 ( 1.479 0.591 -1.819) 2.418 2.763 ( -15.691 -5.410 2.291) 16.755 3.671 ( 1.567 -1.815 1.350) 2.752 3.748 ( 0.109 1.572 -1.272) 2.025 3.957 ( -2.533 1.576 -3.862) 4.880 3.989 ( 6.331 10.738 0.930) 12.500 4.409 ( -0.537 -2.864 -0.957) 3.067 5.113 ( 7.787 -0.820 5.098) 9.344======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -8.008 -9.221 5.079) 13.227 1.099 ( -8.567 2.253 5.182) 10.263 1.326 ( -1.673 -0.540 0.178) 1.767 1.666 ( -10.627 -1.301 0.778) 10.735 2.075 ( 1.842 -0.125 0.535) 1.922 2.392 ( -21.850 -6.141 0.558) 22.703 3.674 ( 1.056 -2.442 -0.083) 2.662 3.749 ( 0.036 0.667 -1.250) 1.417 3.896 ( -3.300 0.274 -2.489) 4.142 4.224 ( 8.543 8.854 -4.102) 12.969 4.414 ( 3.389 -1.142 1.450) 3.859 5.250 ( 6.642 -0.038 5.846) 8.848======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( -10.801 -8.743 4.292) 14.544 0.961 ( -13.602 3.619 6.730) 15.602 1.235 ( -7.861 -2.569 -3.661) 9.044 1.511 ( -6.885 -0.431 0.181) 6.900 1.945 ( -22.886 -4.799 -0.840) 23.399 2.088 ( -0.519 -0.132 0.550) 0.767 3.665 ( 0.484 -1.584 -0.019) 1.656 3.765 ( 1.571 0.303 -0.772) 1.777 3.849 ( -2.023 0.430 -0.695) 2.181 4.386 ( 6.021 2.129 -3.049) 7.077 4.512 ( 6.747 1.748 0.468) 6.985 5.365 ( 4.825 0.444 4.125) 6.364======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( -11.828 -0.000 0.000) 11.828 0.736 ( -18.242 -0.000 0.000) 18.242 0.953 ( -21.771 -0.000 0.000) 21.771 1.423 ( -3.536 -0.000 0.000) 3.536 1.606 ( -13.043 -0.000 0.000) 13.043 2.065 ( -1.821 -0.000 0.000) 1.821 3.658 ( -0.486 -0.000 0.000) 0.486 3.796 ( 1.845 0.000 -0.000) 1.845 3.831 ( -0.357 -0.000 0.000) 0.357 4.482 ( 4.983 0.000 -0.000) 4.983 4.633 ( 5.992 0.000 -0.000) 5.992 5.440 ( 2.820 0.000 -0.000) 2.820======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( -0.000 12.437 11.559) 16.980 0.783 ( 0.000 17.043 -1.735) 17.131 1.057 ( -0.000 16.312 8.880) 18.573 1.431 ( 0.000 4.208 -1.020) 4.330 1.672 ( 0.000 16.535 -1.273) 16.584 2.097 ( -0.000 -0.500 2.546) 2.595 3.679 ( -0.000 1.412 0.374) 1.461 3.767 ( 0.000 -2.096 -1.450) 2.549 3.828 ( -0.000 -0.571 -0.060) 0.574 4.353 ( 0.000 -4.892 -8.367) 9.693 4.618 ( -0.000 -5.273 2.554) 5.859 5.438 ( 0.000 -2.341 -2.818) 3.663======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.776 ( -7.538 12.920 10.419) 18.229 0.975 ( 2.137 13.736 -4.602) 14.643 1.251 ( 3.527 5.418 4.797) 8.051 1.514 ( 3.412 6.863 0.131) 7.666 1.929 ( 8.141 21.134 -0.711) 22.659 2.090 ( -0.517 0.190 -0.412) 0.687 3.676 ( -1.312 0.751 1.144) 1.896 3.745 ( 0.501 -2.267 -1.369) 2.695 3.849 ( 2.335 0.802 0.610) 2.543 4.305 ( 2.323 -5.627 -4.198) 7.395 4.553 ( -1.959 -7.064 2.904) 7.885 5.353 ( -5.320 -2.428 -5.038) 7.719======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( -2.001 10.643 6.356) 12.557 1.100 ( 1.162 9.386 -4.142) 10.325 1.314 ( 0.556 0.788 -0.320) 1.017 1.662 ( 4.523 9.631 0.123) 10.641 2.050 ( -0.395 -0.852 -2.357) 2.537 2.326 ( 11.308 19.492 -0.358) 22.538 3.664 ( -0.914 -0.633 1.784) 2.102 3.747 ( 1.831 -0.380 -0.657) 1.982 3.913 ( 2.714 2.042 1.905) 3.894 4.288 ( 2.880 -5.050 -1.435) 5.988 4.427 ( -6.079 -6.357 2.084) 9.039 5.198 ( -6.747 -3.825 -6.697) 10.247======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( 1.821 7.483 2.052) 7.970 1.176 ( 0.588 5.509 -2.557) 6.101 1.306 ( -0.629 -0.149 -2.597) 2.677 1.846 ( 5.218 9.140 0.108) 10.525 2.042 ( 1.073 0.398 0.373) 1.203 2.673 ( 9.965 14.764 -1.748) 17.898 3.642 ( -0.926 -1.644 0.175) 1.895 3.777 ( 0.754 1.506 -0.888) 1.904 3.975 ( 1.609 0.727 2.064) 2.716 4.230 ( -10.143 -1.278 1.678) 10.360 4.327 ( 4.271 -2.768 -0.396) 5.105 5.027 ( -4.694 -6.578 -6.033) 10.085======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 3.531 5.191 0.254) 6.283 1.203 ( -0.689 0.852 -1.088) 1.544 1.309 ( 1.480 3.006 -2.555) 4.213 1.928 ( 0.279 -3.060 2.927) 4.244 2.160 ( 4.626 12.322 -0.149) 13.162 2.930 ( 7.527 8.757 -0.707) 11.568 3.588 ( -3.394 -1.942 -2.968) 4.909 3.786 ( -1.139 1.576 -0.792) 2.100 3.973 ( -2.076 -1.050 0.270) 2.342 4.077 ( -8.594 4.645 1.165) 9.839 4.410 ( 5.820 0.405 0.028) 5.834 4.888 ( -1.149 -8.571 -2.978) 9.146======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 1.715 3.076 -0.624) 3.577 1.183 ( -0.789 -0.301 -0.597) 1.034 1.397 ( 5.023 3.154 -1.262) 6.064 1.867 ( -3.068 -5.295 3.351) 6.977 2.348 ( 1.179 13.909 -0.760) 13.980 3.097 ( 5.128 3.486 1.268) 6.329 3.476 ( -5.772 -0.480 -3.882) 6.973 3.774 ( -1.912 1.705 0.899) 2.715 3.940 ( -2.663 4.201 -0.185) 4.977 4.018 ( -3.850 2.255 0.190) 4.466 4.507 ( 5.053 0.565 -1.247) 5.235 4.802 ( 0.975 -8.349 -0.145) 8.407======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 0.037 1.042 -0.801) 1.314 1.182 ( -0.143 0.868 0.587) 1.057 1.476 ( 2.475 -2.656 -1.297) 3.855 1.781 ( -1.832 -1.824 0.558) 2.645 2.431 ( -5.929 10.841 -0.708) 12.377 3.157 ( -0.613 -0.981 0.308) 1.197 3.439 ( 1.400 4.163 2.091) 4.865 3.764 ( -1.852 2.062 0.929) 2.923 3.952 ( -4.389 8.797 0.390) 9.839 3.987 ( 0.274 -1.300 -0.637) 1.474 4.572 ( 1.960 -0.776 0.453) 2.157 4.753 ( 3.275 -7.454 -1.167) 8.225======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -2.542 -0.488 0.423) 2.623 1.199 ( 1.286 0.461 1.083) 1.743 1.414 ( -3.028 -4.423 0.408) 5.375 1.800 ( 4.181 0.110 -3.195) 5.264 2.354 ( -11.922 5.354 -0.146) 13.070 3.089 ( -4.656 -2.506 0.557) 5.317 3.573 ( 4.764 5.578 5.284) 9.040 3.758 ( -1.543 2.963 -0.277) 3.352 3.954 ( -2.028 3.909 1.060) 4.530 4.005 ( -0.742 4.771 -0.896) 4.911 4.522 ( -4.718 -3.587 0.158) 5.929 4.800 ( 9.621 -5.300 -0.348) 10.990======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -5.106 -3.213 1.952) 6.341 1.222 ( 0.126 0.187 0.958) 0.984 1.355 ( -1.232 -0.495 1.944) 2.354 1.866 ( 4.650 -0.991 -3.141) 5.698 2.163 ( -13.243 1.381 0.182) 13.316 2.950 ( -9.861 -2.485 1.330) 10.256 3.660 ( -0.046 0.441 3.941) 3.966 3.781 ( -0.638 4.245 -1.248) 4.471 3.968 ( 0.512 -0.563 -0.564) 0.947 4.060 ( -0.346 11.168 0.071) 11.174 4.397 ( -3.546 -4.928 -1.346) 6.218 4.942 ( 11.217 -3.305 2.246) 11.908======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -7.682 -3.351 2.079) 8.635 1.207 ( -2.598 0.417 0.948) 2.797 1.350 ( -0.833 0.192 1.307) 1.562 1.844 ( -8.642 -0.499 -0.075) 8.657 2.034 ( 0.373 -0.074 -0.523) 0.646 2.701 ( -17.843 -1.964 0.964) 17.977 3.651 ( -0.733 -0.890 0.972) 1.508 3.773 ( -2.332 1.236 -1.027) 2.832 3.944 ( -2.286 -0.081 -0.965) 2.482 4.200 ( 3.750 8.973 -1.356) 9.819 4.336 ( 2.563 -4.457 0.398) 5.157 5.112 ( 10.281 -1.213 2.398) 10.627======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( -10.480 -0.000 0.000) 10.480 1.143 ( -6.050 -0.000 0.000) 6.050 1.318 ( -3.613 -0.000 0.000) 3.613 1.660 ( -10.660 -0.000 0.000) 10.660 2.075 ( 2.280 0.000 -0.000) 2.280 2.331 ( -24.040 -0.000 0.000) 24.040 3.643 ( 0.506 0.000 -0.000) 0.506 3.752 ( -0.224 -0.000 0.000) 0.224 3.895 ( -3.053 -0.000 0.000) 3.053 4.305 ( 4.434 0.000 -0.000) 4.434 4.405 ( 6.716 0.000 -0.000) 6.716 5.266 ( 7.851 0.000 -0.000) 7.851======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( -0.000 6.932 5.516) 8.859 1.050 ( 0.000 11.300 -1.207) 11.364 1.306 ( -0.000 5.843 5.471) 8.004 1.551 ( 0.000 8.705 -0.270) 8.709 2.060 ( 0.000 8.274 -2.535) 8.654 2.117 ( 0.000 15.613 0.255) 15.615 3.687 ( 0.000 -1.017 -1.141) 1.528 3.743 ( 0.000 0.916 0.102) 0.921 3.810 ( -0.000 -1.051 -0.027) 1.051 4.218 ( -0.000 -5.681 -0.872) 5.748 4.502 ( -0.000 -7.343 0.914) 7.399 5.362 ( 0.000 -3.087 -4.426) 5.396======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( -3.969 6.660 4.455) 8.942 1.154 ( 0.894 7.271 -1.734) 7.529 1.340 ( -1.862 2.434 0.977) 3.217 1.685 ( 4.033 10.114 0.267) 10.892 2.040 ( -0.585 -2.415 -2.438) 3.481 2.394 ( 5.153 23.655 -0.416) 24.214 3.690 ( 0.886 -1.920 -2.257) 3.093 3.709 ( -1.540 1.452 2.508) 3.282 3.870 ( 4.752 0.834 0.527) 4.853 4.185 ( 2.167 -5.395 1.165) 5.930 4.421 ( -1.492 -6.865 -0.684) 7.058 5.262 ( -5.927 -3.796 -4.803) 8.521======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -2.162 6.253 3.239) 7.366 1.212 ( 0.025 4.149 -1.047) 4.279 1.317 ( -1.745 0.793 -2.504) 3.154 1.851 ( 3.831 7.079 0.473) 8.063 2.028 ( 2.212 1.372 0.464) 2.644 2.693 ( 5.787 18.106 -1.401) 19.060 3.656 ( -1.401 -0.299 -0.963) 1.726 3.750 ( 2.347 0.383 -0.386) 2.409 3.953 ( 2.966 0.803 1.539) 3.437 4.205 ( 5.174 -3.065 2.039) 6.349 4.321 ( -3.195 -4.132 -1.562) 5.452 5.073 ( -8.868 -5.342 -4.692) 11.366======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 0.279 6.075 2.867) 6.723 1.222 ( -1.286 0.268 -0.258) 1.339 1.311 ( 0.625 2.648 -2.586) 3.753 1.900 ( 0.620 -3.060 2.936) 4.286 2.193 ( 6.668 12.794 1.110) 14.470 2.920 ( 4.616 11.043 -0.736) 11.991 3.625 ( -2.490 0.870 -2.547) 3.667 3.776 ( 1.968 -0.820 -3.437) 4.045 3.970 ( -0.783 -2.037 1.189) 2.486 4.239 ( -3.839 1.228 -0.424) 4.052 4.313 ( 6.568 1.566 1.736) 6.972 4.856 ( -6.899 -7.818 -3.194) 10.905======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 0.551 5.293 2.169) 5.747 1.192 ( -1.318 -0.564 -0.594) 1.552 1.365 ( 2.553 2.686 -0.005) 3.705 1.867 ( -1.257 -4.333 3.579) 5.759 2.443 ( 5.149 15.533 1.005) 16.395 3.062 ( 3.557 4.550 0.943) 5.852 3.558 ( -5.182 1.264 -5.001) 7.312 3.790 ( 1.683 -0.328 -3.446) 3.849 3.927 ( -0.191 -3.431 1.014) 3.582 4.196 ( -6.598 6.423 1.186) 9.284 4.430 ( 4.503 1.835 -1.418) 5.065 4.703 ( -0.318 -9.072 0.082) 9.078======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -0.294 -0.024 -0.333) 0.445 1.217 ( -1.048 3.832 1.021) 4.101 1.421 ( 1.873 -0.590 0.417) 2.008 1.804 ( -2.589 -2.580 1.777) 4.064 2.627 ( -2.349 14.335 0.333) 14.530 3.139 ( 2.141 -0.260 1.431) 2.588 3.484 ( -2.465 3.156 -2.195) 4.567 3.800 ( 0.101 0.875 -1.842) 2.041 3.921 ( 3.034 -3.846 0.229) 4.904 4.148 ( -7.193 8.044 1.837) 10.947 4.497 ( 4.159 -0.385 -2.763) 5.008 4.648 ( 1.430 -7.431 1.271) 7.674======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 0.716 0.447 -0.053) 0.846 1.215 ( -2.858 1.706 0.945) 3.460 1.403 ( -0.915 -3.446 -0.693) 3.632 1.766 ( -0.335 -0.071 -0.443) 0.560 2.616 ( -11.471 7.680 -0.338) 13.809 3.124 ( -1.920 -2.181 0.477) 2.944 3.565 ( 4.644 6.457 2.717) 8.404 3.802 ( -0.643 1.863 -1.428) 2.434 3.931 ( 2.291 -4.198 0.019) 4.782 4.147 ( -4.109 9.909 2.192) 10.949 4.557 ( 0.404 -1.055 0.978) 1.494 4.586 ( 4.426 -8.321 -2.591) 9.775======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -5.051 -0.601 0.468) 5.108 1.210 ( 1.332 0.151 0.466) 1.419 1.363 ( -0.444 -1.088 -0.147) 1.184 1.784 ( 2.711 -0.087 -1.281) 2.999 2.426 ( -15.256 1.933 -0.093) 15.378 3.056 ( -4.714 -1.066 0.450) 4.854 3.682 ( 0.968 2.244 2.674) 3.622 3.824 ( 0.415 4.239 -1.263) 4.443 3.926 ( 2.126 -3.354 0.108) 3.972 4.194 ( -2.732 9.372 1.590) 9.891 4.428 ( -6.252 -5.676 -1.242) 8.535 4.707 ( 12.255 -3.110 0.110) 12.644======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -6.179 -0.000 0.000) 6.179 1.227 ( 0.169 0.000 -0.000) 0.169 1.359 ( 0.056 0.000 -0.000) 0.056 1.845 ( 4.351 0.000 -0.000) 4.351 2.177 ( -14.255 -0.000 0.000) 14.255 2.930 ( -10.230 -0.000 0.000) 10.230 3.677 ( -1.892 -0.000 0.000) 1.892 3.828 ( -2.563 -0.000 0.000) 2.563 3.950 ( 1.444 0.000 -0.000) 1.444 4.243 ( 1.372 0.000 -0.000) 1.372 4.283 ( -4.512 -0.000 0.000) 4.512 4.910 ( 12.806 0.000 -0.000) 12.806======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( -0.000 1.968 0.478) 2.025 1.209 ( 0.000 5.948 -1.006) 6.033 1.388 ( 0.000 1.018 0.020) 1.018 1.749 ( 0.000 10.945 -0.365) 10.951 1.998 ( 0.000 -5.009 -2.254) 5.493 2.591 ( 0.000 23.798 -0.094) 23.798 3.657 ( 0.000 -0.857 -0.683) 1.096 3.776 ( 0.000 1.783 0.254) 1.801 3.799 ( -0.000 -0.219 1.342) 1.360 4.129 ( -0.000 -4.483 4.195) 6.139 4.363 ( 0.000 -5.576 -3.239) 6.448 5.260 ( 0.000 -4.721 -4.142) 6.281======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -0.279 1.443 -0.448) 1.536 1.250 ( -0.323 3.373 -0.466) 3.420 1.357 ( -2.505 -0.215 -3.359) 4.195 1.864 ( 1.192 4.837 0.174) 4.985 1.978 ( 4.610 0.097 -0.244) 4.618 2.816 ( 1.355 18.929 -0.429) 18.983 3.652 ( 0.232 -0.412 -1.746) 1.809 3.755 ( -1.506 1.478 1.780) 2.761 3.885 ( 5.732 0.416 0.385) 5.760 4.122 ( 2.018 -3.389 5.468) 6.742 4.303 ( -0.538 -2.327 -4.651) 5.228 5.143 ( -6.152 -5.828 -3.618) 9.214======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 1.614 2.017 0.237) 2.594 1.254 ( -1.630 0.287 0.597) 1.759 1.323 ( -0.179 1.703 -3.398) 3.805 1.867 ( 0.484 -3.600 3.085) 4.765 2.169 ( 9.552 9.528 0.002) 13.491 2.988 ( 0.996 12.142 -0.009) 12.183 3.653 ( 0.126 1.182 -2.514) 2.781 3.739 ( -1.350 -0.490 -1.502) 2.078 3.961 ( 1.668 -0.690 0.837) 1.990 4.163 ( 5.837 -4.127 2.396) 7.540 4.305 ( 1.256 4.810 -1.899) 5.321 4.932 ( -9.785 -6.853 -2.458) 12.197======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 1.311 0.536 0.248) 1.438 1.237 ( -0.579 2.480 1.588) 3.001 1.352 ( 1.661 1.951 -0.325) 2.583 1.849 ( 0.143 -3.552 3.579) 5.045 2.451 ( 10.980 11.724 1.080) 16.099 3.086 ( 0.103 6.045 0.831) 6.103 3.641 ( -3.692 2.730 -4.638) 6.527 3.707 ( 1.757 -3.209 -3.388) 4.986 3.932 ( -2.262 -2.186 1.161) 3.353 4.254 ( 5.848 0.349 0.046) 5.858 4.394 ( 2.379 5.324 -0.415) 5.846 4.695 ( -8.515 -7.298 -0.229) 11.217======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( -0.362 -0.499 -0.320) 0.695 1.282 ( -0.413 4.386 1.443) 4.636 1.394 ( 1.378 -0.383 1.392) 1.996 1.822 ( -1.261 -2.084 2.147) 3.247 2.746 ( 7.303 13.555 2.083) 15.537 3.116 ( -0.480 0.330 0.935) 1.102 3.562 ( -4.783 2.020 -4.856) 7.109 3.716 ( 4.440 -4.407 -3.406) 7.123 3.886 ( -1.296 -1.446 1.573) 2.499 4.322 ( -2.502 5.169 1.485) 5.931 4.452 ( 0.669 1.681 -3.156) 3.638 4.554 ( 0.656 -6.659 2.100) 7.013======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 0.335 -0.009 -0.052) 0.339 1.299 ( -2.998 3.648 0.992) 4.825 1.383 ( -0.494 -2.983 0.060) 3.024 1.786 ( -1.767 -0.395 0.433) 1.861 2.875 ( -8.728 9.366 0.717) 12.823 3.101 ( 1.990 -3.728 0.219) 4.231 3.564 ( 2.600 4.985 0.118) 5.624 3.748 ( 5.810 -4.209 -3.322) 7.906 3.868 ( -0.126 -1.287 1.498) 1.979 4.313 ( -4.298 6.913 3.098) 8.710 4.443 ( 0.968 -3.703 -3.651) 5.290 4.550 ( 1.687 -2.717 0.953) 3.338======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 1.013 0.000 -0.000) 1.013 1.241 ( -5.402 -0.000 0.000) 5.402 1.360 ( -0.238 -0.000 0.000) 0.238 1.765 ( -0.348 -0.000 0.000) 0.348 2.695 ( -14.935 -0.000 0.000) 14.935 3.099 ( -1.075 -0.000 0.000) 1.075 3.665 ( 3.730 0.000 -0.000) 3.730 3.815 ( 4.292 0.000 -0.000) 4.292 3.865 ( 0.867 0.000 -0.000) 0.867 4.310 ( -3.914 -0.000 0.000) 3.914 4.437 ( 2.776 0.000 -0.000) 2.776 4.551 ( 1.820 0.000 -0.000) 1.820======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 0.000 -0.013 -1.569) 1.569 1.277 ( 0.000 1.480 -0.075) 1.482 1.344 ( 0.000 -2.942 -7.524) 8.079 1.879 ( -0.000 -6.221 1.903) 6.506 1.941 ( 0.000 8.857 -1.383) 8.964 2.977 ( 0.000 14.976 -0.137) 14.976 3.650 ( 0.000 0.288 -0.107) 0.307 3.809 ( -0.000 1.370 0.364) 1.417 3.818 ( -0.000 1.262 0.946) 1.577 4.094 ( -0.000 -3.622 6.511) 7.451 4.287 ( 0.000 2.465 -5.519) 6.045 5.122 ( 0.000 -7.327 -3.006) 7.920======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 1.275 0.076 -1.288) 1.814 1.263 ( -0.409 -3.214 -1.097) 3.420 1.309 ( 1.092 0.526 -5.493) 5.625 1.833 ( 0.236 -4.335 3.284) 5.444 2.084 ( 7.867 6.613 -1.528) 10.390 3.092 ( -0.216 9.182 0.234) 9.188 3.657 ( 0.121 1.260 0.161) 1.276 3.787 ( -2.812 1.724 -0.745) 3.381 3.892 ( 4.913 0.467 -0.339) 4.946 4.073 ( 0.686 -5.196 3.669) 6.398 4.338 ( 1.125 8.459 -2.497) 8.892 4.986 ( -5.593 -8.529 -2.086) 10.410======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 2.925 0.750 0.389) 3.045 1.239 ( 1.291 -1.418 -0.310) 1.943 1.335 ( 2.082 1.074 -1.941) 3.043 1.818 ( 0.861 -2.898 2.954) 4.227 2.318 ( 13.262 5.596 -0.918) 14.424 3.154 ( -0.615 4.754 0.622) 4.834 3.670 ( -0.757 1.329 1.063) 1.862 3.736 ( -4.414 1.546 -3.610) 5.908 3.943 ( -0.181 -1.231 0.267) 1.273 4.095 ( 8.247 -3.145 0.378) 8.835 4.439 ( 0.448 8.863 -1.356) 8.978 4.777 ( -8.312 -8.258 -0.174) 11.718======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 0.084 -0.361 -0.154) 0.401 1.291 ( 3.292 1.424 0.692) 3.653 1.375 ( 1.560 0.392 0.416) 1.661 1.817 ( 0.414 -1.305 1.524) 2.049 2.623 ( 16.401 4.773 0.379) 17.086 3.168 ( -2.025 1.930 0.640) 2.870 3.639 ( -4.818 -0.991 -2.223) 5.398 3.661 ( -2.222 0.709 -1.321) 2.681 3.906 ( -1.761 -0.891 0.494) 2.035 4.253 ( 10.667 -0.307 0.080) 10.672 4.490 ( -2.134 5.423 -2.900) 6.510 4.577 ( -6.881 -5.660 2.590) 9.278======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -0.086 -0.000 0.000) 0.086 1.346 ( 1.740 0.000 -0.000) 1.740 1.377 ( -1.566 -0.000 0.000) 1.566 1.810 ( -1.003 -0.000 0.000) 1.003 2.920 ( 13.702 0.000 -0.000) 13.702 3.102 ( -7.476 -0.000 0.000) 7.476 3.569 ( -0.979 -0.000 0.000) 0.979 3.643 ( 1.111 0.000 -0.000) 1.111 3.879 ( -1.159 -0.000 0.000) 1.159 4.390 ( 2.593 0.000 -0.000) 2.593 4.459 ( -4.671 -0.000 0.000) 4.671 4.483 ( 1.658 0.000 -0.000) 1.658======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 0.000 -0.382 -1.440) 1.490 1.192 ( 0.000 -5.725 -5.835) 8.174 1.295 ( 0.000 0.387 -1.792) 1.833 1.801 ( -0.000 -3.342 2.943) 4.453 2.065 ( 0.000 4.730 -1.285) 4.901 3.162 ( 0.000 4.766 0.240) 4.772 3.660 ( 0.000 0.619 -0.072) 0.623 3.832 ( -0.000 0.712 0.466) 0.851 3.862 ( 0.000 3.510 -1.243) 3.724 4.031 ( -0.000 -5.405 2.978) 6.171 4.426 ( 0.000 12.388 -0.971) 12.426 4.933 ( -0.000 -10.638 -1.798) 10.789======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 3.025 0.917 0.540) 3.207 1.163 ( 3.264 -3.638 -3.228) 5.857 1.303 ( 1.288 0.211 -1.026) 1.660 1.790 ( 0.622 -1.623 1.678) 2.416 2.165 ( 7.986 2.366 -0.822) 8.370 3.192 ( -0.187 1.873 0.206) 1.894 3.688 ( 1.760 1.123 0.641) 2.184 3.809 ( -3.317 0.750 -0.803) 3.495 3.916 ( 2.462 2.948 -1.163) 4.013 3.987 ( 0.633 -4.898 1.654) 5.208 4.546 ( -0.917 12.459 -0.311) 12.496 4.784 ( -3.820 -11.334 -0.732) 11.983======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 1.242 0.000 -0.000) 1.242 1.218 ( 5.638 0.000 -0.000) 5.638 1.339 ( 2.728 0.000 -0.000) 2.728 1.799 ( 1.021 0.000 -0.000) 1.021 2.370 ( 14.682 0.000 -0.000) 14.682 3.197 ( -0.458 -0.000 0.000) 0.458 3.704 ( -1.531 -0.000 0.000) 1.531 3.732 ( -5.722 -0.000 0.000) 5.722 3.930 ( -1.467 -0.000 0.000) 1.467 4.062 ( 10.109 0.000 -0.000) 10.109 4.609 ( -3.860 -0.000 0.000) 3.860 4.610 ( -4.481 -0.000 0.000) 4.481======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( -0.000 0.000 0.000) 0.000 1.106 ( -0.000 0.000 0.000) 0.000 1.292 ( -0.000 0.000 0.000) 0.000 1.779 ( -0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 -0.000) 0.000 3.203 ( -0.000 -0.000 0.000) 0.000 3.667 ( -0.000 0.000 0.000) 0.000 3.841 ( -0.000 0.000 0.000) 0.000 3.926 ( -0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 4.682 ( -0.000 -0.000 -0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.194 ( -0.000 0.000 20.326) 20.326 0.194 ( -0.000 0.000 20.326) 20.326 0.293 ( -0.000 0.000 30.945) 30.945 1.366 ( 0.000 -0.000 -0.862) 0.862 1.366 ( 0.000 -0.000 -0.862) 0.862 2.811 ( 0.000 -0.000 -4.555) 4.555 3.643 ( -0.000 0.000 0.348) 0.348 3.643 ( -0.000 0.000 0.348) 0.348 3.829 ( 0.000 -0.000 -0.544) 0.544 3.829 ( 0.000 -0.000 -0.544) 0.544 4.582 ( -0.000 0.000 0.916) 0.916 5.621 ( 0.000 -0.000 -0.135) 0.135======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.257 ( 8.677 5.010 6.187) 11.776 0.271 ( 8.766 5.061 5.712) 11.622 0.832 ( 21.708 12.533 19.477) 31.744 1.382 ( 1.542 0.890 -0.844) 1.971 1.452 ( 6.489 3.746 -2.789) 7.995 2.175 ( -10.513 -6.070 14.797) 19.139 3.649 ( 0.537 0.310 0.171) 0.643 3.821 ( 0.015 0.009 -0.811) 0.812 3.824 ( -0.719 -0.415 -0.062) 0.832 4.399 ( 9.091 5.249 -22.839) 25.137 4.655 ( 5.148 2.972 -2.364) 6.397 5.464 ( -7.521 -4.342 0.928) 8.734======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( 12.586 7.266 -0.674) 14.548 0.522 ( 12.018 6.939 -5.203) 14.820 1.226 ( 8.192 4.729 8.667) 12.829 1.433 ( 3.351 1.935 -0.765) 3.944 1.703 ( 16.710 9.648 1.550) 19.358 2.086 ( -1.812 -1.046 1.312) 2.470 3.666 ( 0.955 0.551 -0.212) 1.123 3.799 ( -1.381 -0.797 0.326) 1.627 3.836 ( 1.473 0.851 1.146) 2.051 4.419 ( 0.161 0.093 -7.046) 7.048 4.654 ( -5.963 -3.443 5.886) 9.058 5.317 ( -4.520 -2.609 -8.952) 10.362======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( 10.209 5.894 -8.504) 14.535 0.786 ( 11.130 6.426 -2.178) 13.035 1.326 ( 0.888 0.513 1.554) 1.862 1.536 ( 6.261 3.615 -0.745) 7.267 2.049 ( 3.035 1.752 -3.933) 5.268 2.147 ( 16.035 9.258 2.885) 18.740 3.688 ( 1.033 0.597 -0.633) 1.351 3.769 ( -1.389 -0.802 0.591) 1.709 3.896 ( 2.957 1.707 3.771) 5.087 4.392 ( -3.366 -1.944 1.244) 4.081 4.454 ( -10.712 -6.184 3.583) 12.877 5.203 ( -2.922 -1.687 -11.393) 11.882======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( 8.980 5.185 -9.298) 13.927 0.982 ( 6.859 3.960 -2.304) 8.248 1.313 ( -1.502 -0.867 -1.108) 2.058 1.712 ( 9.398 5.426 -1.064) 10.904 2.063 ( 0.404 0.233 -1.122) 1.216 2.535 ( 16.264 9.390 -0.887) 18.801 3.705 ( 0.553 0.319 -0.332) 0.719 3.746 ( -0.617 -0.356 0.274) 0.764 3.972 ( 2.197 1.268 3.491) 4.315 4.101 ( -16.864 -9.737 5.007) 20.107 4.415 ( 1.398 0.807 -1.239) 2.035 5.108 ( -2.823 -1.630 -8.480) 9.085======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 3.404 1.965 -1.854) 4.346 1.107 ( 8.201 4.735 -6.979) 11.764 1.278 ( -0.056 -0.033 -2.262) 2.263 1.926 ( 9.403 5.429 -1.527) 10.964 2.049 ( -2.261 -1.305 1.547) 3.035 2.857 ( 12.558 7.251 -1.204) 14.551 3.709 ( -0.231 -0.133 1.113) 1.144 3.736 ( -15.173 -8.760 0.202) 17.521 3.744 ( 0.389 0.225 -0.909) 1.014 4.009 ( 0.121 0.070 1.933) 1.938 4.469 ( 3.343 1.930 0.400) 3.881 5.022 ( -2.946 -1.701 -4.477) 5.623======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 1.535 0.886 -1.313) 2.206 1.175 ( 0.015 0.009 -1.697) 1.697 1.390 ( 9.997 5.772 -5.478) 12.777 1.955 ( -6.701 -3.869 2.620) 8.169 2.099 ( 5.931 3.424 -1.508) 7.012 3.084 ( 7.440 4.296 0.235) 8.595 3.459 ( -8.524 -4.921 0.056) 9.843 3.704 ( -0.480 -0.277 1.148) 1.274 3.753 ( 0.584 0.337 -0.611) 0.910 4.003 ( -0.639 -0.369 0.295) 0.794 4.552 ( 3.452 1.993 0.663) 4.041 4.948 ( -2.637 -1.523 -1.986) 3.636======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 0.367 0.212 -0.765) 0.875 1.175 ( 0.619 0.357 0.098) 0.721 1.574 ( 4.566 2.636 -4.843) 7.159 1.803 ( -4.306 -2.486 0.905) 5.054 2.170 ( 0.548 0.316 -0.809) 1.027 3.161 ( -0.629 -0.363 -1.180) 1.385 3.398 ( 2.200 1.270 6.573) 7.047 3.694 ( -0.603 -0.348 0.092) 0.702 3.765 ( 0.474 0.274 0.529) 0.761 3.992 ( -0.251 -0.145 -0.536) 0.610 4.600 ( -0.281 -0.162 1.155) 1.200 4.911 ( 0.573 0.331 -1.631) 1.760======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( -0.729 -0.421 -0.068) 0.845 1.204 ( 1.462 0.844 1.439) 2.218 1.478 ( -8.098 -4.675 2.954) 9.806 1.870 ( 6.859 3.960 -5.815) 9.825 2.116 ( -5.132 -2.963 0.202) 5.929 3.088 ( -5.667 -3.272 0.915) 6.607 3.539 ( 7.462 4.308 7.794) 11.619 3.682 ( -0.245 -0.142 -0.899) 0.943 3.774 ( -0.022 -0.013 1.307) 1.307 3.987 ( -0.134 -0.077 -1.323) 1.332 4.538 ( -4.395 -2.538 -0.889) 5.153 4.976 ( 4.865 2.809 0.836) 5.680======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -2.390 -1.380 1.031) 2.946 1.214 ( -2.654 -1.532 3.726) 4.825 1.351 ( -3.062 -1.768 5.075) 6.185 1.952 ( -9.234 -5.331 0.988) 10.709 1.989 ( 4.950 2.858 -4.646) 7.366 2.898 ( -12.079 -6.974 2.910) 14.248 3.680 ( 0.489 0.282 -1.446) 1.552 3.761 ( 10.259 5.923 2.522) 12.111 3.770 ( -0.701 -0.405 1.485) 1.691 3.968 ( -1.023 -0.591 -1.658) 2.036 4.444 ( -2.721 -1.571 -2.245) 3.861 5.108 ( 5.756 3.323 3.871) 7.692======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -5.587 -3.226 3.013) 7.120 1.113 ( -7.130 -4.116 8.195) 11.616 1.338 ( -0.852 -0.492 1.669) 1.938 1.734 ( -9.786 -5.650 1.143) 11.357 2.064 ( 2.593 1.497 -1.209) 3.229 2.562 ( -18.325 -10.580 1.718) 21.229 3.694 ( 0.963 0.556 -1.379) 1.771 3.754 ( -0.969 -0.559 0.980) 1.487 3.877 ( -0.925 -0.534 -5.733) 5.831 4.054 ( 10.251 5.918 0.224) 11.839 4.420 ( 1.013 0.585 -0.638) 1.333 5.247 ( 5.117 2.955 5.274) 7.920======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -10.086 -5.823 6.384) 13.281 0.952 ( -9.884 -5.706 10.535) 15.532 1.280 ( -4.951 -2.858 -2.260) 6.147 1.548 ( -6.659 -3.845 0.462) 7.703 2.092 ( -2.031 -1.172 -0.457) 2.389 2.111 ( -18.987 -10.962 0.009) 21.924 3.699 ( -0.709 -0.409 0.227) 0.849 3.750 ( 0.995 0.574 -1.006) 1.527 3.836 ( -0.794 -0.458 -2.439) 2.605 4.277 ( 9.335 5.389 -5.553) 12.125 4.480 ( 4.034 2.329 1.761) 4.980 5.363 ( 3.788 2.187 4.613) 6.357======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( -12.650 -7.303 10.599) 18.047 0.732 ( -12.928 -7.464 11.550) 18.874 1.049 ( -15.814 -9.130 -6.276) 19.309 1.438 ( -3.413 -1.970 -0.325) 3.954 1.684 ( -14.402 -8.315 -1.089) 16.666 2.077 ( -1.433 -0.827 1.301) 2.104 3.674 ( -1.283 -0.741 0.553) 1.581 3.781 ( 1.796 1.037 -1.439) 2.524 3.828 ( 0.181 0.104 0.030) 0.211 4.428 ( 6.058 3.497 -6.787) 9.746 4.597 ( 5.210 3.008 1.483) 6.197 5.442 ( 2.212 1.277 2.232) 3.392======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.355 ( 0.000 21.521 -4.070) 21.903 0.544 ( -0.000 12.514 16.220) 20.486 0.763 ( -0.000 17.715 23.156) 29.155 1.372 ( 0.000 1.621 -1.666) 2.324 1.447 ( 0.000 7.429 -2.526) 7.846 2.225 ( -0.000 -14.665 13.581) 19.988 3.656 ( -0.000 0.941 0.566) 1.098 3.802 ( 0.000 -1.740 -1.320) 2.184 3.831 ( 0.000 0.234 -0.582) 0.627 4.289 ( 0.000 13.134 -23.824) 27.204 4.641 ( 0.000 3.916 -0.271) 3.926 5.502 ( -0.000 -6.250 0.567) 6.276======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -5.126 14.117 10.054) 18.073 0.599 ( -0.200 20.590 -1.611) 20.654 1.150 ( 11.022 8.123 12.420) 18.486 1.413 ( 2.424 3.434 -0.927) 4.304 1.595 ( 8.632 12.513 -0.316) 15.205 2.120 ( -3.156 -3.834 3.417) 6.028 3.663 ( -0.186 0.813 0.496) 0.970 3.785 ( 0.625 -2.139 -0.904) 2.405 3.837 ( 0.542 0.804 0.403) 1.050 4.347 ( 3.852 -0.091 -11.059) 11.711 4.673 ( 0.491 -2.473 2.495) 3.547 5.377 ( -6.958 -2.956 -4.849) 8.981======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 1.318 9.993 7.145) 12.355 0.816 ( 3.442 16.997 -6.097) 18.383 1.306 ( 2.570 0.645 2.345) 3.538 1.506 ( 3.303 6.151 -0.383) 6.992 1.951 ( 13.211 13.041 -0.853) 18.583 2.081 ( 1.425 1.836 0.564) 2.392 3.673 ( 0.518 0.261 0.752) 0.950 3.770 ( 0.151 -1.854 -0.405) 1.904 3.880 ( 2.362 2.021 2.593) 4.049 4.357 ( 2.307 -2.442 -5.016) 6.037 4.584 ( -7.291 -7.689 6.596) 12.481 5.218 ( -5.888 -1.428 -10.302) 11.951======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( 5.391 6.424 0.013) 8.386 0.991 ( 2.848 11.542 -5.052) 12.917 1.318 ( -0.445 -1.156 -0.753) 1.450 1.653 ( 5.807 8.723 -0.625) 10.498 2.044 ( 1.185 0.357 -2.421) 2.719 2.385 ( 14.346 13.459 0.021) 19.671 3.683 ( 0.569 -1.182 0.755) 1.514 3.757 ( -0.298 -0.085 -0.421) 0.523 3.957 ( 2.678 1.763 3.530) 4.769 4.322 ( -12.504 -6.638 5.455) 15.172 4.374 ( 0.088 -2.392 -2.344) 3.350 5.094 ( -2.760 -2.827 -9.651) 10.429======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 7.077 4.266 -2.569) 8.653 1.109 ( 1.960 7.594 -3.838) 8.732 1.284 ( -1.241 -0.918 -1.646) 2.257 1.854 ( 7.110 9.166 -0.831) 11.630 2.058 ( 0.494 -0.133 0.223) 0.558 2.728 ( 12.310 10.839 -1.182) 16.445 3.663 ( -0.552 -4.645 0.460) 4.700 3.755 ( -0.601 1.240 -0.491) 1.463 3.981 ( -8.309 -0.959 0.719) 8.395 4.035 ( -8.083 0.067 3.016) 8.627 4.413 ( 4.319 -0.246 -0.550) 4.361 5.004 ( -0.963 -4.549 -5.588) 7.269======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 4.653 1.902 -1.996) 5.409 1.174 ( 0.205 1.991 -2.028) 2.849 1.301 ( 4.342 4.567 -2.972) 6.968 1.974 ( -0.356 -3.267 1.731) 3.714 2.104 ( 2.338 9.652 -1.312) 10.017 2.996 ( 9.091 6.899 0.232) 11.415 3.537 ( -6.689 -6.990 -0.832) 9.710 3.751 ( -1.500 1.010 1.725) 2.499 3.819 ( -7.197 6.196 -0.575) 9.514 4.014 ( -0.803 -0.318 0.286) 0.910 4.495 ( 4.964 0.674 -0.214) 5.014 4.933 ( -0.471 -5.217 -2.178) 5.672======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 1.287 1.023 -1.493) 2.221 1.172 ( -0.006 0.374 -0.367) 0.524 1.457 ( 8.111 3.700 -4.698) 10.077 1.864 ( -5.811 -5.681 1.851) 8.335 2.221 ( -0.696 9.467 -1.644) 9.634 3.149 ( 2.771 1.973 0.150) 3.406 3.412 ( -1.404 -0.727 3.552) 3.888 3.736 ( -2.406 1.560 2.497) 3.802 3.805 ( -2.479 5.666 -0.967) 6.260 3.997 ( -0.582 -0.314 -0.564) 0.869 4.579 ( 3.597 0.324 0.787) 3.696 4.872 ( 0.287 -4.959 -1.877) 5.310======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -0.217 0.364 -0.788) 0.894 1.190 ( 1.345 0.805 0.862) 1.789 1.518 ( -1.252 -4.810 -2.067) 5.383 1.782 ( 2.249 0.341 -2.234) 3.189 2.234 ( -6.406 5.964 -0.883) 8.797 3.136 ( -2.978 -1.722 0.214) 3.447 3.496 ( 5.428 3.532 7.369) 9.810 3.718 ( -2.483 1.880 1.710) 3.553 3.821 ( -1.973 5.558 0.236) 5.902 3.987 ( -0.191 0.071 -1.141) 1.159 4.581 ( -3.239 -2.346 0.709) 4.062 4.878 ( 6.376 -2.606 -1.484) 7.046======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( -1.696 -1.462 0.534) 2.302 1.226 ( 0.991 0.175 1.700) 1.975 1.405 ( -4.009 -4.028 2.898) 6.380 1.867 ( 6.471 -0.051 -4.874) 8.101 2.123 ( -10.609 2.377 -0.109) 10.872 3.025 ( -7.898 -4.111 2.132) 9.155 3.655 ( 5.980 2.625 4.601) 7.989 3.702 ( -1.939 2.023 0.417) 2.833 3.856 ( -1.247 8.067 1.724) 8.343 3.976 ( -0.811 -0.077 -1.644) 1.835 4.470 ( -4.477 -3.414 -2.087) 6.004 5.000 ( 9.190 -1.211 1.729) 9.429======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( -3.875 -5.596 3.264) 7.548 1.211 ( -3.067 -0.687 2.711) 4.151 1.358 ( -1.043 -0.547 2.794) 3.033 1.870 ( -7.899 -2.595 -0.040) 8.315 2.019 ( 1.161 1.617 -2.188) 2.958 2.785 ( -15.846 -5.975 2.231) 17.082 3.687 ( -0.420 -0.796 1.786) 2.000 3.732 ( 0.750 0.565 -2.085) 2.287 3.923 ( -3.111 3.363 -3.162) 5.567 4.004 ( 4.925 7.889 2.325) 9.586 4.396 ( 0.169 -2.066 -1.809) 2.751 5.153 ( 8.818 -0.951 3.211) 9.432======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( -6.873 -10.127 6.358) 13.792 1.140 ( -6.601 0.499 3.275) 7.385 1.328 ( -3.057 -1.004 0.272) 3.229 1.673 ( -10.709 -1.559 0.786) 10.851 2.074 ( 2.646 0.229 -0.805) 2.775 2.396 ( -22.794 -6.551 0.332) 23.719 3.676 ( 0.626 -2.536 0.707) 2.706 3.734 ( 0.397 0.844 -1.982) 2.190 3.878 ( -3.253 1.721 -1.398) 3.937 4.193 ( 6.610 7.920 -2.315) 10.573 4.423 ( 4.347 -0.217 0.582) 4.391 5.289 ( 7.167 -1.044 2.302) 7.600======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( -9.314 -12.461 8.906) 17.926 0.999 ( -11.852 -0.806 0.505) 11.890 1.220 ( -9.269 -0.762 1.067) 9.361 1.513 ( -7.157 -0.545 0.171) 7.180 1.937 ( -22.992 -4.107 -0.887) 23.373 2.091 ( -0.400 -0.471 0.152) 0.637 3.668 ( 0.532 -1.719 0.567) 1.886 3.756 ( 1.597 1.019 -1.116) 2.199 3.846 ( -1.826 1.010 0.073) 2.088 4.347 ( 5.644 4.710 -4.618) 8.681 4.528 ( 6.425 1.027 2.397) 6.934 5.382 ( 4.981 -1.622 -0.735) 5.290======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 0.000 19.600 -5.764) 20.430 0.853 ( -0.000 9.852 10.741) 14.575 1.177 ( -0.000 10.840 14.306) 17.948 1.418 ( 0.000 4.654 -1.830) 5.001 1.663 ( 0.000 17.150 -0.264) 17.152 2.117 ( -0.000 -3.597 1.154) 3.778 3.681 ( 0.000 1.095 0.094) 1.099 3.755 ( 0.000 -1.867 -1.137) 2.186 3.827 ( 0.000 -0.432 -0.138) 0.453 4.277 ( 0.000 -0.567 -7.600) 7.621 4.643 ( -0.000 -4.663 2.708) 5.392 5.396 ( 0.000 -3.144 -5.606) 6.428======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( -5.124 11.993 5.273) 14.068 0.937 ( -0.643 13.921 -0.869) 13.963 1.296 ( 0.623 2.919 4.172) 5.130 1.515 ( 3.798 7.167 -0.059) 8.111 1.924 ( 7.344 19.100 -0.388) 20.467 2.084 ( -0.021 0.417 -0.819) 0.919 3.688 ( -0.423 1.284 1.390) 1.939 3.731 ( 0.464 -2.565 -1.499) 3.007 3.858 ( 3.049 0.771 1.224) 3.375 4.268 ( 2.383 -2.889 -3.616) 5.206 4.583 ( -1.249 -8.357 3.444) 9.125 5.291 ( -6.327 -1.795 -7.875) 10.260======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( -3.696 9.499 5.797) 11.726 1.058 ( 0.800 10.869 -4.130) 11.654 1.311 ( -0.480 -0.304 -0.303) 0.644 1.663 ( 4.287 9.831 -0.099) 10.726 2.026 ( 0.349 0.597 -2.634) 2.724 2.323 ( 10.666 17.867 -0.130) 20.809 3.680 ( -1.092 -1.165 1.493) 2.186 3.739 ( 1.997 -0.046 -1.052) 2.258 3.935 ( 3.376 1.668 2.776) 4.679 4.274 ( 3.229 -3.457 -1.447) 4.947 4.450 ( -5.818 -8.637 2.872) 10.803 5.125 ( -7.342 -2.134 -8.670) 11.560======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( -0.064 7.981 3.033) 8.538 1.148 ( 0.811 7.230 -3.210) 7.952 1.286 ( -0.902 -1.017 -1.658) 2.144 1.847 ( 5.221 9.907 0.021) 11.199 2.046 ( 1.566 1.615 0.423) 2.289 2.657 ( 10.025 14.585 -1.612) 17.771 3.647 ( -1.368 -2.779 0.935) 3.235 3.763 ( 0.769 0.919 -2.009) 2.340 3.994 ( 1.081 0.009 1.854) 2.146 4.245 ( -10.066 -2.834 1.488) 10.562 4.324 ( 4.415 -1.497 -0.067) 4.663 4.968 ( -3.959 -4.970 -6.342) 8.977======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 1.932 6.173 1.864) 6.731 1.192 ( -0.686 1.672 -1.195) 2.167 1.287 ( 1.824 3.533 -2.172) 4.531 1.952 ( 0.816 -1.604 2.014) 2.701 2.159 ( 3.770 12.414 -0.056) 12.974 2.926 ( 8.274 9.429 -0.223) 12.546 3.568 ( -4.332 -3.846 -1.286) 5.934 3.773 ( 0.261 0.955 -1.907) 2.149 3.978 ( -2.326 -1.173 0.705) 2.699 4.085 ( -8.837 4.518 0.596) 9.943 4.407 ( 5.228 0.221 -0.572) 5.264 4.863 ( 0.051 -7.238 -2.342) 7.607======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.578 3.593 0.032) 3.639 1.179 ( -0.482 0.138 -0.367) 0.621 1.384 ( 4.336 4.293 -1.433) 6.268 1.894 ( -3.495 -5.274 2.278) 6.725 2.339 ( 0.651 14.509 -1.118) 14.566 3.111 ( 5.249 3.905 1.578) 6.730 3.452 ( -4.023 -1.196 -1.041) 4.324 3.779 ( -0.469 0.940 0.148) 1.061 3.943 ( -2.739 3.785 0.919) 4.762 4.017 ( -4.710 3.110 -0.519) 5.668 4.494 ( 5.580 -0.133 -1.403) 5.755 4.800 ( 0.811 -7.419 -0.367) 7.472======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( -0.043 1.482 -0.785) 1.678 1.187 ( 0.158 1.200 0.596) 1.350 1.459 ( 2.117 -1.314 -2.290) 3.384 1.787 ( -3.237 -2.689 0.743) 4.273 2.422 ( -5.887 11.316 -1.247) 12.817 3.161 ( -1.180 -0.838 0.632) 1.579 3.468 ( 3.920 3.663 3.862) 6.610 3.775 ( -1.379 0.962 1.305) 2.129 3.959 ( -4.218 9.416 1.085) 10.374 3.978 ( -0.287 -0.989 -1.117) 1.520 4.578 ( 3.504 -0.800 0.710) 3.664 4.737 ( 2.081 -7.450 -2.201) 8.043======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -1.845 0.133 -0.066) 1.851 1.210 ( 1.375 0.337 1.172) 1.838 1.414 ( -1.719 -4.241 -0.599) 4.616 1.776 ( 2.655 0.389 -1.810) 3.236 2.351 ( -11.594 5.648 -0.498) 12.906 3.098 ( -4.307 -2.567 1.355) 5.194 3.616 ( 5.234 5.053 3.532) 8.086 3.761 ( -1.915 1.408 0.848) 2.524 3.962 ( -0.520 1.074 0.211) 1.212 4.001 ( -2.438 8.372 0.615) 8.742 4.519 ( -5.896 -3.952 -0.874) 7.152 4.796 ( 11.210 -4.898 -0.526) 12.244======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( -4.169 -3.235 2.028) 5.653 1.231 ( 0.267 -0.341 0.898) 0.997 1.368 ( -0.444 -1.196 0.721) 1.465 1.841 ( 4.794 0.073 -1.895) 5.156 2.165 ( -13.249 1.447 0.178) 13.329 2.963 ( -9.608 -3.088 1.372) 10.185 3.691 ( -0.584 -0.805 2.313) 2.517 3.766 ( -0.922 4.649 -1.624) 5.010 3.961 ( -0.114 -0.640 -0.758) 0.998 4.069 ( -0.697 11.032 1.899) 11.216 4.381 ( -3.428 -4.454 -2.069) 5.988 4.958 ( 12.098 -3.643 1.048) 12.678======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( -6.872 -5.249 3.625) 9.377 1.214 ( -2.283 -0.372 0.508) 2.368 1.354 ( -0.945 -0.607 -0.530) 1.242 1.844 ( -7.893 -0.459 0.166) 7.908 2.029 ( -0.055 0.482 -0.444) 0.658 2.706 ( -17.998 -2.688 0.146) 18.198 3.660 ( -0.996 -1.788 0.674) 2.154 3.763 ( -2.407 2.313 -1.095) 3.513 3.939 ( -2.316 0.656 -0.054) 2.407 4.190 ( 2.563 8.522 -0.515) 8.914 4.338 ( 3.461 -3.501 -0.169) 4.926 5.122 ( 10.493 -2.566 -0.177) 10.804======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( -9.843 -4.195 3.936) 11.400 1.131 ( -6.916 -2.006 -2.346) 7.574 1.317 ( -2.760 0.137 -0.199) 2.770 1.661 ( -10.636 -0.475 0.153) 10.648 2.069 ( 1.954 0.081 -1.368) 2.387 2.329 ( -23.665 -0.061 -0.341) 23.668 3.649 ( 0.636 -0.212 1.207) 1.380 3.751 ( -0.325 1.035 -0.251) 1.113 3.899 ( -3.072 0.580 0.932) 3.262 4.300 ( 4.014 3.645 -1.017) 5.517 4.411 ( 7.228 -2.029 1.209) 7.604 5.248 ( 7.535 -2.093 -3.661) 8.634======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 0.000 12.782 -3.952) 13.379 1.038 ( -0.000 4.370 3.738) 5.751 1.359 ( -0.000 2.871 5.054) 5.812 1.546 ( 0.000 9.268 -0.778) 9.301 2.031 ( 0.000 5.028 -3.562) 6.162 2.123 ( 0.000 17.823 1.154) 17.861 3.678 ( 0.000 -1.195 -0.718) 1.394 3.744 ( 0.000 1.229 -0.097) 1.233 3.818 ( -0.000 -0.746 1.657) 1.817 4.216 ( -0.000 -3.012 0.153) 3.016 4.513 ( -0.000 -9.324 1.357) 9.423 5.305 ( 0.000 -2.135 -7.570) 7.866======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( -2.755 4.739 1.304) 5.634 1.130 ( 0.686 8.130 -2.970) 8.683 1.349 ( -3.188 0.762 0.688) 3.349 1.685 ( 4.250 10.073 -0.297) 10.937 2.017 ( 0.125 -1.220 -2.354) 2.655 2.390 ( 4.591 22.904 -0.343) 23.363 3.672 ( 0.451 -2.047 -1.640) 2.662 3.732 ( -0.971 1.680 2.164) 2.907 3.881 ( 5.109 0.513 1.963) 5.498 4.200 ( 1.394 -3.329 1.943) 4.099 4.414 ( -1.056 -9.200 -0.625) 9.282 5.205 ( -6.164 -2.363 -7.243) 9.800======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.063 ( -1.067 4.942 1.202) 5.197 1.195 ( 0.226 5.776 -2.513) 6.304 1.299 ( -2.327 -0.370 -1.158) 2.626 1.855 ( 4.219 7.739 0.292) 8.819 2.035 ( 2.964 2.335 0.954) 3.892 2.678 ( 5.542 18.377 -1.743) 19.273 3.646 ( -0.585 -1.497 -0.956) 1.870 3.746 ( 0.271 0.056 -0.573) 0.636 3.971 ( 3.114 0.238 2.061) 3.742 4.228 ( 4.406 -1.372 2.793) 5.394 4.304 ( -2.165 -5.920 -1.802) 6.556 5.023 ( -8.838 -3.697 -5.895) 11.249======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 0.876 5.562 2.878) 6.323 1.220 ( -1.600 0.859 -0.199) 1.827 1.287 ( 1.220 3.415 -2.417) 4.358 1.926 ( 1.055 -1.819 2.595) 3.339 2.204 ( 6.535 12.776 1.340) 14.413 2.912 ( 5.070 11.928 -0.863) 12.990 3.604 ( -3.122 -0.940 -1.794) 3.721 3.741 ( 1.509 -1.448 -3.964) 4.482 3.981 ( -1.060 -1.984 1.219) 2.559 4.235 ( -2.529 0.952 -0.438) 2.738 4.329 ( 5.255 1.540 1.432) 5.661 4.826 ( -6.069 -6.350 -3.146) 9.330======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( -0.327 -0.163 -0.202) 0.418 1.196 ( -1.246 4.745 2.372) 5.449 1.364 ( 2.942 3.845 -0.119) 4.843 1.899 ( -1.611 -4.338 2.958) 5.493 2.453 ( 4.529 16.209 1.015) 16.860 3.073 ( 4.250 4.949 1.254) 6.643 3.515 ( -4.928 0.167 -3.876) 6.272 3.754 ( 2.877 -1.206 -3.973) 5.052 3.940 ( -0.622 -2.795 1.524) 3.243 4.208 ( -6.210 6.712 1.219) 9.225 4.413 ( 3.365 1.093 -1.946) 4.038 4.704 ( 0.579 -7.929 0.158) 7.951======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( -0.225 0.109 -0.193) 0.316 1.229 ( -1.548 3.970 1.502) 4.518 1.424 ( 1.119 -0.113 -0.004) 1.125 1.820 ( -3.327 -3.174 1.502) 4.837 2.630 ( -3.224 14.963 0.181) 15.308 3.154 ( 1.710 -0.732 1.504) 2.392 3.470 ( 0.268 3.421 -0.585) 3.481 3.777 ( 1.916 -0.711 -2.895) 3.544 3.927 ( 1.730 -2.935 0.913) 3.527 4.168 ( -7.162 8.769 2.220) 11.538 4.472 ( 4.921 -1.018 -2.511) 5.617 4.656 ( 0.694 -6.958 0.389) 7.004======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 0.578 0.608 -0.145) 0.851 1.226 ( -2.764 1.743 1.449) 3.575 1.397 ( -1.155 -3.228 -0.720) 3.504 1.766 ( -1.055 -0.268 0.386) 1.155 2.613 ( -11.627 8.000 -0.112) 14.114 3.131 ( -1.865 -2.449 0.928) 3.215 3.589 ( 5.608 6.285 2.226) 8.712 3.784 ( 0.341 0.180 -2.289) 2.321 3.929 ( 1.613 -3.126 -0.344) 3.535 4.172 ( -4.444 10.197 3.088) 11.544 4.557 ( 9.255 -4.258 -1.523) 10.301 4.567 ( -4.008 -5.375 -0.668) 6.738======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -4.634 -0.863 1.113) 4.843 1.214 ( 1.186 -0.333 0.319) 1.273 1.361 ( -0.203 -0.932 -0.245) 0.985 1.780 ( 2.320 0.584 0.439) 2.433 2.427 ( -15.193 1.996 0.349) 15.328 3.062 ( -4.663 -1.608 0.722) 4.985 3.700 ( 0.626 0.504 0.897) 1.204 3.805 ( 1.134 4.681 -2.577) 5.462 3.925 ( 1.913 -2.728 -0.263) 3.342 4.213 ( -3.076 8.581 2.319) 9.406 4.416 ( -6.435 -5.280 -1.323) 8.428 4.707 ( 12.685 -3.112 -0.193) 13.063======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( -6.044 -1.588 1.323) 6.387 1.227 ( 0.222 -0.382 -0.164) 0.471 1.352 ( -0.313 -0.458 -1.377) 1.484 1.853 ( 4.110 1.127 1.577) 4.544 2.178 ( -14.293 -0.209 0.371) 14.299 2.929 ( -10.429 -0.656 -0.247) 10.453 3.669 ( -1.683 -1.470 -1.558) 2.724 3.822 ( -2.167 0.969 -1.296) 2.704 3.953 ( 1.588 0.400 0.509) 1.715 4.243 ( 1.351 -3.021 0.019) 3.310 4.287 ( -4.671 3.395 0.804) 5.831 4.903 ( 12.497 -0.901 -1.435) 12.611======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( -7.828 0.598 0.067) 7.851 1.195 ( -3.508 -1.300 -1.600) 4.069 1.331 ( -0.377 -0.573 -2.527) 2.618 1.845 ( -9.618 0.311 0.164) 9.624 2.038 ( 0.066 0.543 0.437) 0.700 2.689 ( -17.808 1.446 -1.532) 17.932 3.644 ( 0.437 0.240 -0.574) 0.760 3.780 ( -2.082 -0.518 0.255) 2.161 3.957 ( -2.051 0.713 1.744) 2.785 4.214 ( 4.932 -8.800 1.685) 10.228 4.331 ( 1.491 5.025 -0.587) 5.274 5.078 ( 9.434 0.023 -4.606) 10.498======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.888 -0.733) 1.152 1.187 ( 0.000 6.856 -3.695) 7.789 1.378 ( 0.000 -1.719 -2.054) 2.678 1.742 ( 0.000 10.694 -0.964) 10.738 1.982 ( 0.000 -3.427 -1.077) 3.592 2.587 ( 0.000 23.492 -0.750) 23.504 3.654 ( -0.000 -0.718 -0.030) 0.718 3.776 ( 0.000 1.915 -0.187) 1.924 3.824 ( -0.000 -0.520 3.880) 3.915 4.170 ( -0.000 -2.877 4.425) 5.278 4.330 ( 0.000 -7.689 -3.660) 8.516 5.210 ( 0.000 -3.297 -6.263) 7.078======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 0.159 0.935 -1.580) 1.843 1.233 ( 0.267 4.655 -3.407) 5.774 1.324 ( -1.810 -2.444 -3.091) 4.337 1.866 ( 2.300 6.561 -0.017) 6.952 1.981 ( 4.502 -0.433 0.785) 4.590 2.807 ( 1.234 19.375 -1.416) 19.466 3.642 ( -0.616 -0.133 -0.452) 0.776 3.767 ( -1.916 0.670 0.741) 2.161 3.896 ( 5.652 -0.486 1.815) 5.956 4.172 ( 1.279 -2.792 4.815) 5.711 4.258 ( 0.271 -2.786 -4.515) 5.312 5.102 ( -6.044 -4.403 -4.922) 8.953======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 2.773 1.925 0.171) 3.380 1.258 ( -1.490 0.412 0.293) 1.574 1.288 ( 1.358 2.014 -3.881) 4.579 1.898 ( 0.760 -2.715 3.287) 4.331 2.168 ( 10.358 8.786 -0.138) 13.583 2.984 ( 1.184 13.103 -0.748) 13.178 3.634 ( -0.960 1.213 -1.471) 2.135 3.721 ( -2.638 -1.070 -2.150) 3.567 3.971 ( 2.030 -1.146 1.242) 2.641 4.168 ( 4.366 -4.557 -1.374) 6.459 4.302 ( 2.638 4.745 1.234) 5.567 4.907 ( -9.353 -5.395 -2.803) 11.156======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( 0.728 -0.200 -0.014) 0.755 1.252 ( 0.339 2.520 1.366) 2.886 1.349 ( 2.809 2.952 -0.182) 4.079 1.882 ( -0.056 -3.935 3.319) 5.148 2.460 ( 11.890 11.502 0.904) 16.567 3.093 ( 0.392 6.523 0.659) 6.568 3.593 ( -4.720 1.819 -5.269) 7.304 3.680 ( 0.852 -1.757 -2.279) 3.001 3.945 ( -1.886 -2.338 1.453) 3.337 4.252 ( 6.431 0.618 -0.598) 6.488 4.389 ( 1.734 3.948 -0.650) 4.360 4.695 ( -7.762 -5.813 0.169) 9.699======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -0.296 -0.386 -0.240) 0.543 1.294 ( -0.239 3.608 1.107) 3.782 1.406 ( 1.168 -0.220 1.182) 1.676 1.840 ( -1.754 -2.927 1.714) 3.819 2.764 ( 7.376 13.666 1.784) 15.631 3.126 ( -0.530 -0.315 1.003) 1.177 3.518 ( -3.085 2.639 -4.173) 5.822 3.684 ( 3.076 -2.962 -3.104) 5.280 3.904 ( -0.929 -1.967 2.095) 3.021 4.336 ( -1.147 5.028 1.358) 5.333 4.420 ( 0.234 1.269 -3.212) 3.461 4.572 ( 0.048 -5.958 1.629) 6.177======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 0.372 0.044 -0.063) 0.380 1.310 ( -2.760 3.114 1.251) 4.345 1.384 ( -1.022 -3.322 -0.023) 3.476 1.791 ( -1.950 -0.872 0.608) 2.221 2.884 ( -9.540 9.130 1.063) 13.247 3.103 ( 2.306 -4.325 0.162) 4.904 3.568 ( 4.130 5.703 0.860) 7.093 3.709 ( 4.983 -2.679 -4.705) 7.359 3.885 ( 0.026 -2.146 1.828) 2.819 4.344 ( -4.021 7.140 3.345) 8.850 4.412 ( 1.270 -3.812 -2.789) 4.891 4.554 ( 1.350 -3.084 -0.231) 3.374======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 0.993 0.010 -0.155) 1.005 1.245 ( -5.274 -1.177 0.711) 5.450 1.363 ( -0.241 0.567 0.529) 0.812 1.769 ( -0.134 0.001 0.952) 0.961 2.699 ( -14.974 -0.097 0.797) 14.996 3.100 ( -1.013 -0.398 0.202) 1.107 3.660 ( 3.378 -2.782 -1.146) 4.524 3.800 ( 4.450 5.608 -2.640) 7.630 3.870 ( 0.626 -2.419 0.750) 2.609 4.307 ( -3.431 -4.137 -0.570) 5.405 4.448 ( 1.993 3.592 2.117) 4.621 4.547 ( 2.185 -0.086 -0.918) 2.372======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -5.270 -0.241 0.447) 5.294 1.205 ( 1.331 -0.442 -0.645) 1.543 1.364 ( -1.229 1.106 0.072) 1.655 1.803 ( 3.335 0.681 2.699) 4.344 2.428 ( -15.440 -2.129 0.500) 15.594 3.054 ( -4.884 0.700 -0.044) 4.934 3.650 ( 1.006 -3.824 -4.124) 5.713 3.828 ( -0.262 -2.919 -0.339) 2.950 3.923 ( 2.655 3.463 -0.358) 4.378 4.185 ( -2.267 -9.515 -0.330) 9.787 4.438 ( -5.870 5.109 0.613) 7.806 4.705 ( 11.250 3.374 -0.235) 11.747======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( -5.848 2.187 -1.141) 6.347 1.213 ( -0.054 -0.630 -1.026) 1.205 1.334 ( -2.290 -0.006 -2.515) 3.401 1.898 ( 3.839 1.633 3.412) 5.390 2.162 ( -13.174 -1.622 -0.184) 13.275 2.939 ( -10.472 2.150 -1.084) 10.745 3.622 ( 1.370 -1.497 -4.005) 4.490 3.788 ( -0.636 -3.165 0.316) 3.244 3.971 ( 1.345 -0.417 0.193) 1.421 4.065 ( -0.055 -10.384 1.089) 10.441 4.407 ( -3.525 5.044 0.669) 6.190 4.917 ( 9.776 3.167 -2.951) 10.692======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 0.000 -0.100 -1.820) 1.823 1.245 ( 0.000 1.292 -8.331) 8.430 1.292 ( 0.000 -3.213 -1.574) 3.578 1.905 ( -0.000 -5.101 3.458) 6.163 1.927 ( 0.000 8.737 -1.502) 8.865 2.969 ( 0.000 15.588 -1.493) 15.659 3.651 ( -0.000 0.238 0.253) 0.347 3.811 ( 0.000 1.593 -0.075) 1.594 3.829 ( -0.000 -0.767 1.344) 1.547 4.140 ( -0.000 -5.019 1.653) 5.284 4.248 ( 0.000 4.588 -1.158) 4.732 5.089 ( 0.000 -6.125 -3.888) 7.255======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( 1.971 0.580 -0.801) 2.206 1.225 ( 2.519 -3.427 -6.125) 7.457 1.282 ( 0.165 1.430 -0.788) 1.641 1.868 ( 0.207 -4.368 3.972) 5.907 2.070 ( 7.964 6.523 -1.284) 10.374 3.089 ( 0.008 9.833 -0.916) 9.875 3.659 ( 0.007 1.653 0.230) 1.669 3.775 ( -3.614 1.094 -1.612) 4.105 3.889 ( 5.140 -0.247 -0.203) 5.150 4.085 ( -0.215 -4.980 -1.354) 5.166 4.334 ( 1.363 8.571 1.818) 8.868 4.965 ( -5.220 -7.462 -2.321) 9.397======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 2.651 0.774 0.624) 2.831 1.230 ( 3.023 -1.338 -1.667) 3.702 1.323 ( 2.779 1.883 -0.397) 3.381 1.847 ( 0.706 -3.958 3.059) 5.052 2.311 ( 13.789 5.680 -0.614) 14.925 3.156 ( -0.269 4.855 -0.061) 4.863 3.665 ( -2.418 2.753 -3.394) 4.994 3.711 ( -4.360 1.383 -0.298) 4.584 3.948 ( 0.384 -1.561 0.801) 1.796 4.087 ( 8.119 -2.564 -1.915) 8.727 4.433 ( -0.266 7.920 0.122) 7.926 4.777 ( -7.457 -7.201 0.151) 10.367======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 0.026 -0.242 -0.143) 0.283 1.291 ( 3.425 1.025 -0.728) 3.648 1.384 ( 2.004 0.059 1.391) 2.441 1.830 ( 0.189 -2.613 1.060) 2.826 2.627 ( 16.964 4.465 0.302) 17.544 3.173 ( -1.818 1.462 0.367) 2.361 3.595 ( -4.987 2.263 -5.500) 7.762 3.671 ( -2.908 0.575 1.888) 3.515 3.915 ( -1.514 -1.490 1.294) 2.487 4.249 ( 10.977 -0.080 -1.053) 11.028 4.464 ( -3.006 4.840 -2.462) 6.207 4.603 ( -6.074 -4.934 2.739) 8.290======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -0.091 0.141 0.032) 0.171 1.342 ( 2.012 0.062 -0.682) 2.125 1.378 ( -1.733 -1.595 0.243) 2.367 1.808 ( -0.889 -0.913 -0.362) 1.324 2.917 ( 13.568 -1.909 -0.761) 13.723 3.102 ( -7.215 0.037 0.096) 7.215 3.577 ( -0.123 4.022 1.518) 4.301 3.636 ( -0.009 0.560 -1.119) 1.251 3.886 ( -1.100 -1.121 1.162) 1.954 4.386 ( 1.729 -1.246 -0.632) 2.223 4.439 ( -0.321 3.492 -2.893) 4.546 4.503 ( -1.745 -2.322 2.846) 4.066======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 0.241 0.091 0.030) 0.259 1.292 ( -2.923 -4.140 -0.549) 5.098 1.383 ( 0.247 2.479 -0.060) 2.492 1.783 ( -1.211 -0.162 -0.220) 1.242 2.870 ( -7.533 -9.908 -0.351) 12.452 3.099 ( 1.828 3.314 -0.154) 3.788 3.565 ( 0.460 -4.320 0.203) 4.349 3.768 ( 6.189 7.488 0.913) 9.758 3.861 ( -0.715 -0.785 -0.017) 1.062 4.289 ( -4.294 -6.813 -1.946) 8.285 4.478 ( 1.062 3.740 3.588) 5.290 4.536 ( 1.842 2.248 -2.032) 3.546======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 0.734 -0.258 -0.179) 0.798 1.209 ( -3.003 -1.931 -0.272) 3.580 1.410 ( -0.664 3.234 0.693) 3.373 1.774 ( 0.836 -0.244 1.191) 1.475 2.619 ( -11.341 -7.792 0.455) 13.768 3.123 ( -1.781 2.032 0.184) 2.708 3.538 ( 2.881 -6.180 -3.056) 7.472 3.811 ( -1.093 -2.608 0.497) 2.871 3.929 ( 2.354 5.139 -0.445) 5.670 4.133 ( -3.569 -9.769 -0.632) 10.420 4.543 ( -1.303 1.860 -1.899) 2.961 4.610 ( 5.687 7.155 2.529) 9.484======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( -3.205 0.598 -0.763) 3.348 1.190 ( 1.065 -0.559 -0.854) 1.475 1.407 ( -4.277 3.814 -0.992) 5.816 1.833 ( 5.422 0.067 3.727) 6.579 2.353 ( -12.290 -5.454 -0.296) 13.449 3.088 ( -5.087 2.589 0.435) 5.725 3.521 ( 3.876 -5.592 -5.413) 8.694 3.764 ( -0.873 -3.304 0.945) 3.545 3.945 ( -2.398 -4.447 -0.838) 5.121 4.013 ( -0.114 -3.970 0.813) 4.054 4.517 ( -3.704 3.600 -0.876) 5.238 4.802 ( 8.007 5.351 0.109) 9.631======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 0.000 0.048 -0.811) 0.813 1.138 ( 0.000 -3.346 -5.168) 6.156 1.287 ( 0.000 0.526 -0.419) 0.672 1.833 ( -0.000 -4.510 3.755) 5.869 2.055 ( 0.000 5.095 -0.859) 5.167 3.159 ( 0.000 5.231 -0.863) 5.302 3.661 ( -0.000 0.519 0.304) 0.602 3.833 ( 0.000 0.787 -0.278) 0.835 3.839 ( 0.000 3.148 -3.800) 4.935 4.039 ( -0.000 -4.659 -1.050) 4.776 4.435 ( -0.000 12.061 2.816) 12.386 4.917 ( -0.000 -9.906 -1.594) 10.033======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 3.875 1.699 1.286) 4.422 1.135 ( 3.272 -2.186 -2.520) 4.673 1.301 ( 1.300 0.735 0.466) 1.565 1.808 ( 0.502 -3.328 2.230) 4.037 2.160 ( 7.970 2.924 -0.148) 8.490 3.190 ( -0.085 2.011 -0.690) 2.128 3.689 ( 1.457 0.980 -0.752) 1.910 3.798 ( -3.529 1.807 -1.462) 4.225 3.899 ( 3.601 2.519 -2.504) 5.058 3.990 ( 0.077 -3.959 -0.704) 4.022 4.553 ( -1.673 11.934 1.718) 12.172 4.780 ( -3.231 -10.761 -0.003) 11.236======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 1.610 -0.400 -0.416) 1.711 1.214 ( 4.809 0.817 -0.696) 4.927 1.349 ( 2.650 0.208 2.066) 3.367 1.799 ( 0.857 -1.650 0.020) 1.859 2.373 ( 14.583 0.455 0.643) 14.604 3.194 ( -0.357 -0.153 -0.528) 0.656 3.669 ( -3.286 0.713 -5.128) 6.132 3.756 ( -3.707 1.108 2.929) 4.852 3.933 ( -1.293 -0.299 0.618) 1.464 4.053 ( 10.461 0.521 -1.902) 10.645 4.600 ( -5.232 8.731 -0.682) 10.201 4.627 ( -3.419 -8.524 2.291) 9.466======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 0.191 0.491 0.154) 0.549 1.279 ( 3.405 -1.524 -1.770) 4.129 1.376 ( 0.509 -1.122 0.477) 1.321 1.802 ( 0.487 0.106 -1.719) 1.790 2.620 ( 15.467 -5.155 -0.409) 16.309 3.161 ( -2.057 -2.340 -0.892) 3.241 3.635 ( -0.275 4.211 -1.248) 4.401 3.695 ( -5.057 -0.541 4.030) 6.489 3.907 ( -1.822 0.075 0.543) 1.903 4.247 ( 10.734 0.649 -1.284) 10.829 4.516 ( -2.054 -5.999 2.381) 6.774 4.557 ( -7.495 6.279 -1.478) 9.889======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( -0.419 0.646 0.342) 0.842 1.267 ( -0.107 -4.993 -1.513) 5.218 1.381 ( 1.322 0.414 -1.305) 1.904 1.801 ( -0.719 1.188 -2.150) 2.559 2.726 ( 7.311 -13.368 -1.951) 15.361 3.109 ( -0.383 -0.806 -0.696) 1.132 3.606 ( -5.777 -1.364 4.388) 7.381 3.746 ( 5.153 6.435 2.984) 8.768 3.876 ( -1.749 0.274 -0.497) 1.839 4.309 ( -3.462 -5.256 -1.039) 6.379 4.474 ( 2.273 -1.301 1.259) 2.905 4.536 ( -0.171 6.579 -1.236) 6.696======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( -0.407 0.299 0.364) 0.623 1.210 ( -0.544 -3.707 -0.436) 3.772 1.416 ( 2.572 0.920 -0.635) 2.804 1.788 ( -1.633 1.634 -1.673) 2.853 2.624 ( -1.584 -13.908 -0.442) 14.005 3.128 ( 2.442 -0.226 -0.903) 2.613 3.509 ( -4.930 -2.068 2.974) 6.117 3.811 ( -1.324 -2.026 0.509) 2.473 3.923 ( 3.679 4.503 0.541) 5.840 4.135 ( -6.981 -7.726 -0.917) 10.453 4.522 ( 3.267 -0.113 2.513) 4.123 4.632 ( 2.300 8.026 -2.019) 8.589======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( -0.008 -0.013 -0.000) 0.015 1.176 ( -0.753 -1.304 0.000) 1.506 1.482 ( 2.036 3.526 -0.000) 4.071 1.778 ( 0.300 0.519 -0.000) 0.600 2.434 ( -6.105 -10.574 -0.000) 12.210 3.155 ( 0.372 0.644 0.000) 0.743 3.429 ( -1.789 -3.098 -0.000) 3.578 3.759 ( -1.560 -2.702 -0.000) 3.120 3.950 ( -4.818 -8.346 -0.000) 9.637 3.990 ( 0.731 1.266 -0.000) 1.461 4.570 ( 0.683 1.183 0.000) 1.366 4.759 ( 4.143 7.177 0.000) 8.287======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( -0.000 0.506 0.863) 1.000 1.117 ( -0.000 2.668 2.207) 3.463 1.298 ( -0.000 0.500 1.366) 1.455 1.783 ( -0.000 -1.942 0.740) 2.079 2.110 ( -0.000 0.537 0.571) 0.784 3.198 ( 0.000 0.129 -1.019) 1.027 3.669 ( -0.000 -0.085 0.435) 0.443 3.837 ( 0.000 -0.004 -0.894) 0.894 3.891 ( 0.000 4.127 -6.640) 7.818 3.959 ( -0.000 -2.460 0.640) 2.542 4.685 ( -0.000 -10.567 -0.550) 10.581 4.705 ( -0.000 10.567 3.336) 11.081======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 2.132 -0.040 0.492) 2.188 1.190 ( 1.982 4.099 2.201) 5.057 1.324 ( 1.545 0.457 3.480) 3.834 1.777 ( 0.528 -0.013 -1.080) 1.202 2.175 ( 8.063 -1.928 1.359) 8.401 3.186 ( -0.144 -1.779 -1.085) 2.089 3.678 ( 0.329 -0.964 -1.576) 1.877 3.813 ( -2.005 -0.088 0.150) 2.012 3.917 ( 3.777 -1.441 -1.730) 4.397 3.963 ( 0.353 4.044 -2.577) 4.808 4.557 ( -0.582 -12.119 1.864) 12.275 4.794 ( -4.438 11.336 1.482) 12.263======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 2.679 -0.563 0.027) 2.737 1.237 ( 0.227 1.431 -0.531) 1.543 1.357 ( 0.704 -0.887 2.656) 2.887 1.793 ( 0.750 1.932 -2.437) 3.199 2.328 ( 12.550 -5.781 0.996) 13.854 3.144 ( -0.725 -4.742 -1.278) 4.964 3.659 ( -0.078 0.964 -1.075) 1.446 3.764 ( -3.058 -1.725 2.214) 4.151 3.943 ( -0.731 0.822 0.304) 1.141 4.080 ( 9.394 3.315 -2.582) 10.291 4.458 ( 0.340 -9.261 2.524) 9.605 4.780 ( -9.052 8.968 0.442) 12.750======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 1.734 -1.995 -0.832) 2.771 1.224 ( -1.290 -1.374 -1.065) 2.165 1.355 ( 0.584 -1.243 0.347) 1.417 1.817 ( 0.132 3.055 -3.146) 4.387 2.441 ( 10.189 -11.917 -1.020) 15.712 3.078 ( 0.150 -5.597 -0.892) 5.670 3.678 ( -2.253 -2.184 3.151) 4.447 3.742 ( 2.366 3.812 3.778) 5.865 3.924 ( -2.557 1.638 -0.520) 3.081 4.249 ( 6.378 0.250 -1.068) 6.471 4.398 ( 1.661 -6.661 0.490) 6.883 4.698 ( -9.002 8.497 0.500) 12.389======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 1.469 -5.194 -1.416) 5.580 1.199 ( -1.173 0.785 0.711) 1.580 1.364 ( 2.067 -1.527 -0.037) 2.570 1.833 ( -1.072 3.945 -3.506) 5.385 2.435 ( 5.612 -14.907 -0.818) 15.949 3.056 ( 3.128 -4.205 -0.454) 5.261 3.606 ( -4.778 -1.510 5.016) 7.090 3.817 ( -0.260 -0.870 2.101) 2.289 3.922 ( 0.741 3.996 -0.164) 4.067 4.187 ( -6.976 -6.419 -0.706) 9.506 4.439 ( 6.005 -2.352 0.409) 6.462 4.703 ( -1.546 10.344 0.120) 10.460======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( -0.000 0.557 1.751) 1.838 1.231 ( -0.000 5.150 1.954) 5.509 1.333 ( -0.000 1.156 6.432) 6.535 1.778 ( 0.000 2.386 -1.818) 3.000 2.079 ( -0.000 -4.529 1.513) 4.775 3.155 ( 0.000 -4.427 -1.292) 4.612 3.662 ( -0.000 -0.750 0.320) 0.816 3.825 ( 0.000 -0.512 -1.039) 1.159 3.859 ( 0.000 -2.236 -2.401) 3.281 3.991 ( 0.000 4.387 -4.460) 6.256 4.448 ( -0.000 -11.426 3.314) 11.897 4.950 ( 0.000 10.831 1.771) 10.974======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 0.773 -0.052 1.322) 1.532 1.263 ( -0.665 1.780 -0.683) 2.020 1.365 ( -0.653 0.440 5.722) 5.776 1.808 ( -0.068 4.403 -1.708) 4.723 2.098 ( 7.714 -6.845 1.470) 10.418 3.085 ( -0.296 -8.692 -1.339) 8.799 3.657 ( 0.254 -0.259 0.227) 0.428 3.788 ( -1.929 -2.127 -0.563) 2.926 3.895 ( 5.429 -0.489 0.251) 5.457 4.025 ( 1.509 4.474 -5.794) 7.474 4.372 ( 0.423 -7.540 4.281) 8.681 5.003 ( -5.846 9.148 1.461) 10.954======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 0.490 -2.766 -0.767) 2.912 1.247 ( -1.450 -0.224 -0.787) 1.665 1.351 ( -1.232 -1.289 2.470) 3.047 1.843 ( -0.126 4.166 -1.979) 4.614 2.168 ( 8.778 -10.128 -0.117) 13.403 2.984 ( 1.129 -11.162 -0.668) 11.239 3.679 ( 0.546 -0.810 2.737) 2.906 3.749 ( 0.498 0.091 0.708) 0.870 3.955 ( 0.989 0.199 -0.286) 1.049 4.131 ( 7.783 3.703 -3.964) 9.487 4.330 ( -0.390 -4.530 3.050) 5.475 4.952 ( -9.908 7.984 1.592) 12.824======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 0.575 -6.271 -2.343) 6.719 1.224 ( -0.853 -0.093 0.264) 0.898 1.335 ( 0.026 -1.501 2.280) 2.730 1.873 ( -0.092 3.886 -2.625) 4.691 2.184 ( 6.818 -12.661 -0.751) 14.399 2.926 ( 4.467 -10.128 0.503) 11.080 3.650 ( -1.608 -1.996 2.495) 3.577 3.804 ( 2.133 -0.214 2.491) 3.286 3.959 ( -0.507 1.898 -0.924) 2.171 4.242 ( -4.402 -1.163 0.198) 4.557 4.298 ( 6.838 -1.653 -1.500) 7.193 4.884 ( -7.220 9.228 2.580) 11.998======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -0.000 -0.422 1.059) 1.140 1.272 ( 0.000 -0.626 -0.953) 1.140 1.402 ( -0.000 0.242 4.164) 4.171 1.873 ( 0.000 7.365 0.925) 7.423 1.952 ( -0.000 -9.187 0.978) 9.239 2.971 ( -0.000 -14.385 -1.299) 14.443 3.653 ( -0.000 -0.213 0.466) 0.513 3.804 ( 0.000 -1.130 -0.754) 1.359 3.811 ( 0.000 -1.445 -0.675) 1.595 4.032 ( 0.000 3.663 -6.178) 7.182 4.338 ( -0.000 -2.240 5.217) 5.678 5.144 ( 0.000 8.076 1.536) 8.221======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -0.990 -2.655 -0.790) 2.942 1.247 ( -0.467 -2.598 -1.004) 2.824 1.379 ( -2.212 -1.454 1.189) 2.902 1.864 ( 0.579 -4.491 0.229) 4.534 1.985 ( 3.861 0.093 1.129) 4.024 2.815 ( 1.694 -18.171 -0.691) 18.263 3.673 ( 1.499 0.809 2.604) 3.112 3.735 ( -1.758 -2.166 -2.154) 3.525 3.887 ( 5.529 -0.842 0.728) 5.640 4.072 ( 2.600 4.886 -4.804) 7.329 4.343 ( -1.035 1.247 3.791) 4.123 5.168 ( -6.050 6.854 1.608) 9.282======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( -2.215 -7.761 -4.071) 9.040 1.216 ( 0.254 -2.786 -0.005) 2.797 1.341 ( -0.920 -1.311 2.166) 2.694 1.847 ( 3.567 -6.797 -0.412) 7.687 2.026 ( 1.339 -0.440 0.088) 1.412 2.703 ( 6.166 -17.555 0.718) 18.620 3.662 ( -1.709 -1.175 0.243) 2.088 3.755 ( 3.575 -0.537 0.632) 3.670 3.942 ( 2.390 -1.279 -0.789) 2.823 4.191 ( 5.805 4.870 -0.764) 7.616 4.333 ( -4.083 2.595 0.917) 4.924 5.109 ( -8.396 6.771 2.678) 11.114======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 0.000 -3.394 -1.602) 3.753 1.207 ( 0.000 -5.425 -1.654) 5.672 1.378 ( 0.000 -2.894 -1.928) 3.477 1.749 ( -0.000 -11.188 -0.297) 11.192 2.023 ( -0.000 5.358 2.762) 6.028 2.588 ( -0.000 -23.346 -0.749) 23.358 3.666 ( -0.000 1.075 1.233) 1.636 3.772 ( 0.000 -1.658 -0.686) 1.794 3.800 ( -0.000 -0.028 1.588) 1.589 4.092 ( 0.000 6.257 -3.414) 7.128 4.391 ( -0.000 3.924 2.492) 4.648 5.286 ( 0.000 5.743 1.207) 5.868======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -5.142 -9.160 -6.108) 12.151 1.159 ( 1.782 -5.812 -0.746) 6.124 1.332 ( -0.127 -3.495 -0.673) 3.562 1.680 ( 3.947 -10.134 -0.638) 10.894 2.061 ( -1.000 2.777 1.883) 3.501 2.397 ( 5.547 -23.641 0.127) 24.283 3.688 ( -1.841 -1.125 -1.772) 2.792 3.713 ( 0.532 1.404 2.371) 2.806 3.869 ( 4.098 -1.309 0.437) 4.324 4.180 ( 3.007 7.495 0.390) 8.085 4.425 ( -1.938 5.094 0.202) 5.454 5.292 ( -5.368 4.982 1.465) 7.469======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( 0.000 -9.493 -6.498) 11.504 1.032 ( 0.000 -10.365 -5.510) 11.739 1.272 ( -0.000 -7.271 -1.223) 7.373 1.551 ( -0.000 -8.154 -0.164) 8.156 2.080 ( -0.000 -9.365 1.772) 9.531 2.115 ( -0.000 -15.074 -0.287) 15.077 3.697 ( -0.000 0.260 0.758) 0.801 3.744 ( -0.000 -0.029 0.262) 0.264 3.817 ( -0.000 0.429 1.430) 1.493 4.236 ( -0.000 8.369 3.014) 8.895 4.493 ( 0.000 5.789 -1.116) 5.895 5.385 ( 0.000 3.979 0.138) 3.981======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.382 ( -0.000 0.000 19.399) 19.399 0.382 ( -0.000 0.000 19.399) 19.399 0.584 ( -0.000 0.000 30.562) 30.562 1.354 ( 0.000 -0.000 -1.786) 1.786 1.354 ( 0.000 -0.000 -1.786) 1.786 2.748 ( 0.000 -0.000 -8.889) 8.889 3.647 ( -0.000 0.000 0.676) 0.676 3.647 ( -0.000 0.000 0.676) 0.676 3.822 ( 0.000 -0.000 -1.033) 1.033 3.822 ( 0.000 -0.000 -1.033) 1.033 4.594 ( -0.000 0.000 1.619) 1.619 5.619 ( 0.000 -0.000 -0.247) 0.247======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.365 ( 2.168 1.252 14.903) 15.112 0.400 ( -0.585 -0.338 18.744) 18.756 1.013 ( 17.668 10.200 18.530) 27.560 1.370 ( 1.719 0.993 -1.601) 2.550 1.428 ( 7.426 4.287 -2.316) 8.882 2.284 ( -15.695 -9.061 7.377) 19.567 3.652 ( 0.368 0.212 0.576) 0.716 3.814 ( 0.558 0.322 -0.598) 0.878 3.820 ( -0.473 -0.273 -0.770) 0.944 4.182 ( 18.376 10.610 -20.714) 29.653 4.650 ( 4.366 2.520 0.558) 5.072 5.473 ( -10.312 -5.954 0.784) 11.933======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 6.781 3.915 5.860) 9.780 0.544 ( 9.502 5.486 6.142) 12.574 1.289 ( 4.397 2.539 4.412) 6.727 1.423 ( 3.527 2.036 -1.227) 4.253 1.723 ( 17.153 9.903 2.536) 19.968 2.096 ( -3.915 -2.261 0.658) 4.569 3.666 ( 0.697 0.403 0.196) 0.829 3.799 ( -1.129 -0.652 -0.505) 1.398 3.851 ( 2.582 1.491 2.056) 3.622 4.338 ( 3.623 2.092 -9.876) 10.725 4.706 ( -2.480 -1.432 4.821) 5.607 5.238 ( -8.460 -4.885 -7.368) 12.236======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 7.664 4.425 -2.969) 9.334 0.781 ( 9.778 5.646 1.279) 11.363 1.332 ( -0.186 -0.107 -0.128) 0.250 1.529 ( 6.314 3.646 -0.782) 7.333 2.009 ( 3.738 2.158 -4.359) 6.135 2.176 ( 14.097 8.139 3.098) 16.570 3.683 ( 0.830 0.479 -0.280) 0.999 3.771 ( -1.163 -0.671 -0.158) 1.352 3.933 ( 3.361 1.941 3.988) 5.565 4.364 ( 1.555 0.898 -4.970) 5.284 4.523 ( -15.049 -8.689 8.854) 19.503 5.090 ( -2.117 -1.222 -12.054) 12.299======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 8.548 4.935 -6.487) 11.812 0.966 ( 6.453 3.726 -1.056) 7.526 1.304 ( -1.850 -1.068 -0.977) 2.349 1.703 ( 9.171 5.295 -0.776) 10.618 2.050 ( 1.635 0.944 -1.646) 2.504 2.530 ( 15.484 8.940 -0.243) 17.881 3.700 ( 0.742 0.428 -0.657) 1.080 3.750 ( -0.670 -0.387 0.393) 0.867 3.999 ( 0.808 0.466 2.421) 2.595 4.151 ( -18.187 -10.500 5.213) 21.638 4.399 ( 2.607 1.505 -2.185) 3.720 5.031 ( -1.019 -0.588 -7.454) 7.547======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( 9.265 5.349 -6.026) 12.279 1.070 ( 3.463 1.999 -1.760) 4.368 1.263 ( -0.722 -0.417 -1.015) 1.314 1.913 ( 9.183 5.302 -1.335) 10.687 2.056 ( -1.415 -0.817 0.079) 1.636 2.851 ( 12.887 7.441 -0.007) 14.881 3.710 ( 0.365 0.211 -0.812) 0.915 3.745 ( -0.004 -0.003 1.077) 1.077 3.746 ( -16.012 -9.245 1.928) 18.589 4.023 ( -0.672 -0.388 0.872) 1.167 4.468 ( 3.794 2.190 -0.721) 4.440 4.985 ( -1.706 -0.985 -3.186) 3.746======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 1.752 1.012 -1.735) 2.665 1.157 ( 1.444 0.834 -2.259) 2.808 1.341 ( 8.673 5.008 -4.693) 11.060 1.970 ( -6.352 -3.668 0.458) 7.350 2.083 ( 6.026 3.479 -1.683) 7.159 3.087 ( 7.252 4.187 0.604) 8.396 3.481 ( -7.137 -4.121 4.420) 9.352 3.709 ( -0.352 -0.203 -0.362) 0.545 3.755 ( 0.566 0.327 1.204) 1.370 4.004 ( -0.938 -0.541 -0.224) 1.106 4.557 ( 3.986 2.301 0.399) 4.620 4.929 ( -2.555 -1.475 -2.083) 3.611======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 0.680 0.393 -1.408) 1.613 1.176 ( 1.284 0.741 0.009) 1.483 1.514 ( 6.242 3.604 -7.503) 10.404 1.810 ( -5.909 -3.411 0.479) 6.839 2.159 ( 0.962 0.556 -1.382) 1.773 3.153 ( -0.512 -0.296 -0.358) 0.691 3.479 ( 3.417 1.973 10.292) 11.022 3.694 ( -0.847 -0.489 -0.196) 0.998 3.774 ( 0.632 0.365 1.264) 1.459 3.985 ( -0.489 -0.282 -0.843) 1.015 4.615 ( -0.669 -0.386 1.975) 2.120 4.888 ( 1.143 0.660 -3.218) 3.479======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -0.274 -0.158 -0.783) 0.844 1.217 ( 1.911 1.103 1.341) 2.582 1.491 ( -5.057 -2.920 -0.447) 5.857 1.817 ( 5.700 3.291 -5.201) 8.389 2.114 ( -4.612 -2.663 -0.574) 5.356 3.101 ( -4.652 -2.686 1.706) 5.636 3.623 ( 5.901 3.407 9.854) 11.981 3.675 ( -0.577 -0.333 -0.594) 0.893 3.787 ( 0.082 0.048 1.387) 1.390 3.974 ( -0.367 -0.212 -1.327) 1.393 4.527 ( -5.650 -3.262 -1.499) 6.694 4.980 ( 6.450 3.724 -0.005) 7.448======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -1.668 -0.963 0.338) 1.955 1.242 ( -1.041 -0.601 2.330) 2.621 1.396 ( -3.132 -1.808 3.955) 5.359 1.941 ( 6.218 3.590 -5.174) 8.850 1.959 ( -8.851 -5.110 0.352) 10.226 2.927 ( -12.001 -6.929 3.016) 14.182 3.668 ( 0.267 0.154 -1.159) 1.199 3.784 ( -0.739 -0.427 1.327) 1.577 3.786 ( 5.766 3.329 2.374) 7.068 3.962 ( 0.303 0.175 0.608) 0.701 4.418 ( -2.452 -1.416 -3.202) 4.275 5.137 ( 6.705 3.871 2.282) 8.071======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.063 ( -4.306 -2.486 2.500) 5.565 1.176 ( -5.493 -3.171 4.984) 8.067 1.357 ( -2.313 -1.336 2.301) 3.526 1.744 ( -9.809 -5.663 0.836) 11.357 2.047 ( 3.915 2.260 -2.325) 5.083 2.577 ( -19.371 -11.184 1.459) 22.415 3.680 ( 1.069 0.617 -1.517) 1.956 3.764 ( -1.288 -0.743 0.981) 1.781 3.828 ( -0.276 -0.159 -4.229) 4.241 4.066 ( 7.401 4.273 2.107) 8.802 4.410 ( 2.175 1.256 -1.587) 2.971 5.282 ( 5.352 3.090 2.124) 6.535======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.380 ( -0.000 8.851 9.029) 12.644 0.693 ( -0.000 10.437 15.163) 18.408 0.985 ( -0.000 14.095 23.343) 27.269 1.351 ( 0.000 1.632 -2.761) 3.208 1.425 ( 0.000 7.859 -2.122) 8.140 2.312 ( -0.000 -17.473 4.383) 18.014 3.662 ( -0.000 0.810 0.640) 1.032 3.789 ( 0.000 -1.797 -1.365) 2.256 3.822 ( 0.000 0.778 -1.339) 1.548 4.096 ( 0.000 18.913 -16.445) 25.063 4.646 ( -0.000 3.452 1.066) 3.613 5.502 ( -0.000 -8.543 -0.278) 8.548======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( 3.159 15.151 1.306) 15.532 0.712 ( -9.403 12.007 15.445) 21.705 1.248 ( 5.168 4.260 7.589) 10.121 1.404 ( 3.032 4.089 -1.027) 5.193 1.601 ( 10.482 13.489 2.124) 17.214 2.140 ( -4.630 -6.261 0.472) 7.801 3.669 ( -0.166 0.972 0.796) 1.268 3.775 ( 0.995 -2.347 -1.210) 2.822 3.842 ( 1.511 1.315 0.639) 2.103 4.241 ( 5.625 4.473 -11.063) 13.193 4.695 ( 1.890 -0.519 2.090) 2.866 5.335 ( -8.933 -6.167 -4.016) 11.574======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( -1.175 10.613 4.077) 11.429 0.794 ( 1.295 13.689 3.638) 14.223 1.317 ( 1.292 -0.149 0.081) 1.303 1.501 ( 3.149 6.471 -0.782) 7.239 1.935 ( 9.098 9.113 -2.395) 13.098 2.094 ( 4.435 3.905 1.986) 6.234 3.681 ( 0.083 0.953 0.929) 1.334 3.762 ( 0.559 -2.151 -1.209) 2.530 3.908 ( 3.304 2.126 3.292) 5.126 4.303 ( 3.424 -0.268 -6.263) 7.143 4.649 ( -5.587 -8.510 7.180) 12.458 5.118 ( -7.693 -1.434 -10.668) 13.230======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 1.450 8.228 0.924) 8.406 0.958 ( 2.946 10.165 -1.518) 10.691 1.310 ( -0.732 -1.446 -0.894) 1.851 1.647 ( 5.687 8.837 -0.481) 10.520 2.021 ( 2.157 1.564 -2.399) 3.585 2.387 ( 13.481 12.103 0.305) 18.119 3.691 ( 0.078 -0.252 0.943) 0.979 3.749 ( 0.119 -0.733 -1.194) 1.406 3.989 ( 2.278 1.182 3.056) 3.991 4.337 ( 2.859 -1.115 -2.575) 4.006 4.385 ( -15.310 -8.795 4.991) 18.348 5.005 ( -1.375 -1.357 -8.918) 9.125======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 5.165 6.646 -0.631) 8.440 1.077 ( 2.007 7.427 -2.789) 8.184 1.272 ( -1.283 -1.273 -0.809) 1.981 1.847 ( 6.854 9.464 -0.623) 11.701 2.057 ( 0.903 0.677 -0.405) 1.199 2.721 ( 12.630 10.688 -0.296) 16.549 3.670 ( -1.081 -4.516 1.113) 4.775 3.747 ( 0.123 0.725 -1.038) 1.271 3.992 ( -8.203 -1.379 1.615) 8.474 4.055 ( -9.461 -1.385 1.113) 9.626 4.404 ( 4.621 0.321 -1.345) 4.824 4.958 ( 0.520 -3.471 -3.822) 5.190======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 3.885 2.855 -1.080) 4.940 1.153 ( 0.650 3.654 -2.292) 4.362 1.279 ( 3.121 3.824 -1.686) 5.216 1.983 ( 0.105 -1.848 0.292) 1.874 2.090 ( 1.566 9.032 -1.516) 9.291 3.002 ( 9.482 7.218 1.050) 11.963 3.542 ( -5.715 -7.812 1.883) 9.861 3.760 ( 0.375 1.225 0.070) 1.282 3.822 ( -8.745 6.135 1.264) 10.757 4.013 ( -0.933 -0.760 -0.434) 1.279 4.489 ( 5.427 0.599 -1.064) 5.563 4.917 ( -0.211 -4.625 -1.318) 4.813======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 1.288 1.306 -1.607) 2.439 1.169 ( 0.379 1.017 -0.474) 1.184 1.411 ( 6.356 4.531 -4.875) 9.203 1.874 ( -5.971 -5.299 0.246) 7.987 2.204 ( -0.504 9.520 -1.949) 9.730 3.150 ( 1.868 1.938 0.280) 2.707 3.463 ( 1.718 -1.258 7.090) 7.403 3.764 ( -2.910 1.845 3.228) 4.722 3.795 ( -2.030 5.887 -1.054) 6.316 3.990 ( -0.647 -0.593 -0.828) 1.207 4.587 ( 4.907 0.356 0.900) 5.001 4.850 ( -0.726 -4.906 -2.654) 5.625======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 0.130 0.690 -1.333) 1.507 1.198 ( 1.792 1.145 0.735) 2.250 1.483 ( 1.200 -2.139 -5.102) 5.661 1.768 ( -0.531 -0.673 -0.768) 1.151 2.222 ( -5.930 6.167 -1.495) 8.685 3.143 ( -2.383 -1.205 1.160) 2.911 3.566 ( 5.508 1.102 7.030) 8.998 3.745 ( -2.985 2.470 3.907) 5.503 3.824 ( -1.330 5.847 0.278) 6.002 3.975 ( -0.323 -0.127 -1.277) 1.324 4.586 ( -4.825 -3.159 0.376) 5.780 4.860 ( 8.044 -1.736 -2.352) 8.559======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -1.054 -0.595 -0.301) 1.248 1.241 ( 1.312 0.167 1.497) 1.998 1.422 ( -1.865 -3.632 0.350) 4.098 1.826 ( 5.904 0.948 -3.596) 6.978 2.120 ( -10.337 2.588 -0.685) 10.678 3.046 ( -7.384 -4.219 2.393) 8.835 3.668 ( 2.649 2.171 -0.592) 3.476 3.735 ( -1.198 -0.322 4.995) 5.147 3.875 ( -1.224 8.541 2.191) 8.902 3.965 ( -0.213 0.060 -0.376) 0.436 4.446 ( -5.167 -3.460 -3.087) 6.942 5.012 ( 10.341 -0.822 0.667) 10.395======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -2.770 -3.858 2.087) 5.188 1.233 ( -2.147 -1.402 1.913) 3.199 1.378 ( -1.047 -1.865 1.330) 2.518 1.868 ( -5.575 -2.328 -0.418) 6.056 1.999 ( -0.264 2.628 -1.873) 3.238 2.804 ( -16.137 -6.772 1.662) 17.579 3.695 ( -1.210 3.134 -1.185) 3.563 3.719 ( 0.419 -3.581 0.559) 3.648 3.899 ( -3.496 3.972 -1.864) 5.610 4.032 ( 3.956 6.159 3.630) 8.171 4.374 ( 0.876 -1.191 -2.776) 3.145 5.172 ( 9.214 -1.304 0.811) 9.341======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( 0.000 17.830 -1.827) 17.923 0.946 ( -0.000 7.049 8.701) 11.199 1.300 ( -0.000 6.027 10.740) 12.315 1.397 ( 0.000 5.349 -2.619) 5.955 1.673 ( 0.000 17.947 2.815) 18.166 2.114 ( 0.000 -5.564 -1.917) 5.885 3.681 ( 0.000 0.670 0.056) 0.672 3.746 ( 0.000 -1.499 -0.825) 1.711 3.827 ( -0.000 0.239 0.299) 0.383 4.211 ( 0.000 3.716 -6.475) 7.466 4.669 ( -0.000 -3.683 2.824) 4.641 5.339 ( 0.000 -5.469 -6.266) 8.317======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( -0.318 14.473 -3.225) 14.832 0.983 ( -4.185 7.523 6.886) 11.024 1.326 ( -1.987 2.123 2.081) 3.576 1.512 ( 3.972 7.260 -0.660) 8.302 1.921 ( 4.975 15.034 -0.434) 15.842 2.078 ( 1.908 2.574 -0.350) 3.223 3.699 ( 1.090 1.018 0.661) 1.631 3.718 ( -0.634 -1.989 -0.900) 2.274 3.874 ( 3.808 1.028 2.158) 4.496 4.236 ( 1.930 0.191 -3.386) 3.902 4.619 ( -0.442 -9.359 4.191) 10.264 5.210 ( -7.051 -2.124 -9.184) 11.771======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( -2.521 9.219 -0.626) 9.578 1.039 ( -0.607 9.130 0.933) 9.198 1.309 ( -1.290 -0.487 0.022) 1.379 1.660 ( 4.323 10.091 -0.353) 10.983 2.003 ( 1.170 2.251 -2.171) 3.339 2.323 ( 9.923 16.104 0.066) 18.916 3.689 ( -0.168 -2.292 0.181) 2.305 3.730 ( 0.896 0.997 -0.614) 1.475 3.964 ( 3.557 1.289 3.161) 4.930 4.261 ( 3.054 -1.156 -1.329) 3.526 4.481 ( -5.417 -11.411 3.668) 13.153 5.039 ( -7.262 -0.614 -9.360) 11.862======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( -0.050 8.618 2.206) 8.896 1.121 ( 0.693 7.491 -2.132) 7.819 1.276 ( -1.248 -1.451 -0.496) 1.977 1.847 ( 5.182 10.354 0.017) 11.578 2.050 ( 1.799 3.008 0.521) 3.543 2.643 ( 10.312 14.227 -1.193) 17.611 3.658 ( -1.157 -3.599 1.441) 4.045 3.740 ( 0.491 0.316 -2.748) 2.809 4.009 ( 0.382 -0.514 1.338) 1.484 4.258 ( -10.182 -4.184 1.110) 11.063 4.325 ( 3.981 -0.324 0.057) 3.995 4.912 ( -2.454 -3.701 -5.320) 6.930======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 0.532 6.693 3.263) 7.465 1.180 ( -0.456 2.986 -1.414) 3.335 1.270 ( 1.907 3.212 -1.436) 4.002 1.966 ( 1.043 -0.221 0.959) 1.434 2.159 ( 2.719 12.520 0.063) 12.812 2.927 ( 9.175 9.844 0.363) 13.461 3.564 ( -4.637 -5.611 0.533) 7.298 3.751 ( 1.591 0.307 -2.749) 3.191 3.986 ( -1.809 -1.405 1.112) 2.546 4.088 ( -9.563 4.962 -0.001) 10.773 4.399 ( 4.532 0.112 -1.098) 4.665 4.845 ( 1.155 -6.387 -1.269) 6.613======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -0.910 3.748 0.941) 3.970 1.176 ( -0.223 0.805 -0.172) 0.853 1.370 ( 3.528 5.086 -1.598) 6.393 1.909 ( -3.943 -4.811 0.819) 6.274 2.328 ( -0.043 15.030 -1.229) 15.081 3.125 ( 4.971 4.159 1.373) 6.625 3.458 ( -1.615 -2.297 2.365) 3.671 3.775 ( 1.307 0.264 -0.932) 1.627 3.957 ( -2.277 2.470 1.987) 3.903 4.010 ( -6.062 4.936 -0.858) 7.865 4.481 ( 6.218 -0.516 -1.491) 6.415 4.795 ( 0.278 -6.956 -0.525) 6.981======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( -0.488 1.865 -0.473) 1.985 1.193 ( 0.273 1.665 0.652) 1.809 1.434 ( 1.216 0.066 -2.928) 3.171 1.794 ( -3.779 -2.796 0.564) 4.735 2.408 ( -5.964 11.891 -1.512) 13.389 3.169 ( -1.146 -0.507 0.909) 1.548 3.510 ( 5.051 1.996 5.109) 7.456 3.785 ( -0.150 -0.248 0.804) 0.855 3.966 ( 0.153 -1.228 -1.317) 1.807 3.974 ( -5.193 10.615 2.091) 12.001 4.584 ( 5.269 -1.074 0.709) 5.424 4.712 ( 0.445 -7.216 -2.958) 7.811======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -1.459 0.895 -0.377) 1.753 1.221 ( 1.418 0.329 1.102) 1.826 1.403 ( -0.822 -3.155 -1.741) 3.696 1.767 ( 1.434 0.677 -0.053) 1.587 2.345 ( -11.356 6.277 -0.748) 12.996 3.113 ( -4.031 -2.742 1.757) 5.182 3.639 ( 4.305 4.012 1.612) 6.101 3.771 ( -1.324 -0.669 1.092) 1.842 3.957 ( 0.621 -0.802 -0.899) 1.355 4.019 ( -3.341 10.929 2.839) 11.776 4.506 ( -6.979 -4.384 -1.969) 8.474 4.790 ( 12.327 -4.315 -0.612) 13.075======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( -3.257 -2.336 1.508) 4.282 1.239 ( 0.408 -0.912 0.859) 1.318 1.367 ( -0.149 -1.743 -0.959) 1.995 1.833 ( 4.373 1.205 0.085) 4.537 2.167 ( -13.224 1.833 0.168) 13.351 2.976 ( -9.738 -3.844 1.152) 10.532 3.698 ( -0.620 -0.658 -0.976) 1.330 3.754 ( -1.047 3.027 -0.732) 3.285 3.956 ( -0.322 0.053 -0.346) 0.476 4.095 ( -0.992 10.004 3.460) 10.632 4.358 ( -3.384 -3.659 -2.757) 5.695 4.961 ( 12.317 -4.098 -0.338) 12.985======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 0.000 12.799 -4.135) 13.450 1.063 ( -0.000 2.169 1.398) 2.580 1.393 ( -0.000 0.325 1.769) 1.799 1.536 ( 0.000 9.747 -1.163) 9.816 1.994 ( 0.000 3.031 -4.108) 5.105 2.140 ( 0.000 18.609 2.459) 18.771 3.674 ( -0.000 -1.169 0.079) 1.172 3.741 ( 0.000 1.312 -0.485) 1.399 3.841 ( -0.000 0.188 3.278) 3.283 4.218 ( -0.000 -0.409 0.052) 0.413 4.530 ( -0.000 -11.603 2.431) 11.855 5.224 ( 0.000 -1.472 -9.405) 9.519======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -2.317 5.856 -3.951) 7.435 1.108 ( 1.120 5.516 -1.457) 5.814 1.351 ( -3.145 -0.710 -0.213) 3.231 1.679 ( 4.555 10.089 -0.887) 11.105 1.997 ( 0.943 0.511 -1.762) 2.063 2.388 ( 3.914 21.496 -0.049) 21.850 3.661 ( -0.146 -1.793 -0.636) 1.908 3.746 ( -0.573 1.688 0.853) 1.976 3.908 ( 4.901 0.459 3.625) 6.113 4.219 ( 0.859 -1.159 1.853) 2.348 4.411 ( -0.656 -12.225 0.135) 12.244 5.129 ( -6.098 -0.867 -8.547) 10.535======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 0.806 5.333 -1.510) 5.600 1.170 ( 0.609 5.635 -2.348) 6.135 1.294 ( -2.350 -1.272 -0.150) 2.676 1.856 ( 4.689 8.453 -0.007) 9.666 2.045 ( 3.567 3.144 1.097) 4.880 2.661 ( 5.423 18.281 -1.706) 19.144 3.640 ( -0.102 -1.801 -0.302) 1.829 3.739 ( -1.471 -0.620 -0.910) 1.838 3.991 ( 2.586 -0.269 2.111) 3.349 4.255 ( 3.677 -0.394 2.630) 4.538 4.289 ( -1.138 -7.555 -1.244) 7.741 4.965 ( -8.286 -2.056 -6.071) 10.476======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( 2.005 4.772 2.537) 5.764 1.217 ( -1.216 2.712 -0.360) 2.994 1.267 ( 1.267 2.838 -1.824) 3.604 1.947 ( 1.242 -0.459 1.840) 2.267 2.217 ( 6.488 12.569 1.269) 14.202 2.904 ( 5.750 12.575 -0.789) 13.849 3.593 ( -3.598 -3.004 -0.563) 4.721 3.703 ( 0.953 -1.570 -3.911) 4.321 3.992 ( -1.185 -1.815 0.983) 2.380 4.232 ( -1.229 0.620 -0.258) 1.400 4.340 ( 3.584 1.408 0.839) 3.941 4.799 ( -4.867 -5.095 -2.461) 7.463======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( -0.736 -0.577 -0.278) 0.975 1.220 ( -1.206 4.563 2.594) 5.386 1.362 ( 3.149 4.890 -0.325) 5.826 1.921 ( -2.087 -4.030 1.799) 4.882 2.462 ( 3.870 16.790 0.819) 17.249 3.085 ( 4.977 5.337 1.202) 7.395 3.488 ( -3.922 -1.541 -1.734) 4.557 3.717 ( 3.341 -1.536 -3.699) 5.216 3.954 ( -0.737 -2.285 1.428) 2.793 4.218 ( -5.851 7.111 1.037) 9.266 4.396 ( 2.760 0.413 -1.730) 3.283 4.705 ( 0.971 -7.186 0.035) 7.252======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -0.166 0.110 -0.053) 0.206 1.245 ( -1.870 4.003 1.828) 4.782 1.421 ( 0.372 0.443 -0.590) 0.826 1.832 ( -3.716 -3.256 0.952) 5.032 2.631 ( -4.026 15.704 0.028) 16.212 3.166 ( 1.324 -0.952 1.069) 1.950 3.475 ( 2.701 2.601 1.632) 4.090 3.748 ( 3.227 -1.988 -3.218) 4.972 3.935 ( 0.512 -2.267 0.610) 2.403 4.190 ( -6.811 9.503 2.406) 11.937 4.452 ( 5.450 -1.508 -1.666) 5.895 4.655 ( 0.071 -6.707 -0.557) 6.730======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 0.464 0.649 -0.156) 0.813 1.242 ( -2.841 1.951 1.834) 3.904 1.390 ( -1.303 -2.550 -0.784) 2.969 1.773 ( -1.237 -0.255 1.108) 1.680 2.614 ( -11.807 8.707 0.146) 14.671 3.141 ( -1.659 -2.747 1.118) 3.398 3.607 ( 5.620 5.645 1.766) 8.159 3.759 ( 1.501 -1.895 -2.858) 3.743 3.924 ( 0.834 -2.316 -0.796) 2.587 4.202 ( -4.580 10.312 3.137) 11.712 4.541 ( 6.770 -7.280 -1.366) 10.035 4.562 ( -1.312 -2.236 -0.810) 2.716======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( -3.917 -0.378 1.278) 4.137 1.217 ( 0.668 -1.078 0.459) 1.349 1.358 ( -0.552 -0.605 -0.318) 0.879 1.792 ( 2.297 1.188 2.036) 3.292 2.432 ( -15.254 2.307 0.751) 15.445 3.069 ( -4.726 -2.189 0.862) 5.279 3.699 ( -0.106 -1.250 -1.143) 1.697 3.776 ( 1.752 4.491 -3.464) 5.936 3.923 ( 2.176 -2.030 -0.111) 2.978 4.234 ( -3.067 7.177 2.058) 8.071 4.405 ( -6.634 -3.827 -0.949) 7.718 4.703 ( 12.560 -3.304 -0.467) 12.996======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 0.000 0.320 -1.884) 1.911 1.138 ( 0.000 6.740 -6.798) 9.573 1.354 ( 0.000 -3.257 -2.833) 4.316 1.731 ( 0.000 10.505 -1.316) 10.587 1.978 ( -0.000 -1.261 0.088) 1.264 2.578 ( 0.000 22.447 -1.111) 22.475 3.656 ( -0.000 -0.716 0.545) 0.900 3.773 ( 0.000 2.054 -0.523) 2.120 3.870 ( -0.000 -0.785 5.615) 5.669 4.210 ( -0.000 -1.202 3.958) 4.137 4.296 ( 0.000 -10.494 -3.420) 11.037 5.145 ( 0.000 -1.660 -7.344) 7.530======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 0.460 1.531 -2.604) 3.055 1.187 ( 1.880 4.171 -5.979) 7.529 1.302 ( -1.091 -2.828 -1.641) 3.447 1.863 ( 3.492 8.192 -0.586) 8.924 1.992 ( 3.798 -0.625 1.615) 4.174 2.791 ( 1.296 19.354 -2.055) 19.506 3.643 ( -0.970 -0.024 0.770) 1.239 3.768 ( -2.348 0.201 -0.459) 2.401 3.920 ( 4.964 -1.960 3.227) 6.236 4.183 ( 0.027 -6.968 -3.661) 7.872 4.247 ( 1.688 1.160 3.364) 3.939 5.053 ( -5.743 -2.786 -5.382) 8.349======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 3.801 2.311 0.532) 4.480 1.250 ( 3.095 2.649 -4.195) 5.848 1.259 ( -1.202 0.191 -0.021) 1.218 1.927 ( 0.837 -1.550 2.819) 3.324 2.166 ( 10.952 8.042 -0.231) 13.590 2.974 ( 1.652 13.840 -1.351) 14.003 3.625 ( -2.284 0.080 -0.581) 2.358 3.700 ( -3.302 -0.998 -2.101) 4.039 3.984 ( 1.803 -1.471 1.417) 2.724 4.144 ( 5.217 -4.435 -3.245) 7.577 4.322 ( 2.083 3.859 2.717) 5.159 4.881 ( -8.661 -3.847 -2.622) 9.833======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 0.294 -0.549 -0.060) 0.626 1.260 ( 1.270 1.791 0.358) 2.225 1.349 ( 3.666 4.224 0.174) 5.595 1.910 ( -0.461 -4.132 2.462) 4.832 2.467 ( 12.709 11.333 0.532) 17.036 3.098 ( 0.961 7.014 0.331) 7.087 3.544 ( -4.761 -0.010 -4.850) 6.796 3.666 ( -0.454 -0.054 -0.655) 0.799 3.958 ( -1.520 -2.166 1.206) 2.907 4.244 ( 7.543 0.398 -0.875) 7.604 4.383 ( 0.436 2.886 -0.641) 2.988 4.698 ( -7.034 -4.374 0.420) 8.294======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( -0.232 -0.325 -0.127) 0.419 1.302 ( 0.359 2.821 0.596) 2.905 1.415 ( 0.741 0.037 0.681) 1.007 1.853 ( -2.085 -3.537 0.947) 4.214 2.778 ( 7.559 13.658 1.041) 15.645 3.134 ( -0.620 -0.922 0.697) 1.312 3.486 ( -0.911 2.900 -2.453) 3.906 3.660 ( 1.338 -1.968 -1.841) 3.009 3.922 ( -0.830 -1.944 1.500) 2.592 4.346 ( 0.420 4.710 0.834) 4.802 4.395 ( 0.264 0.786 -2.091) 2.249 4.584 ( -1.132 -5.187 0.852) 5.377======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 0.350 0.059 -0.065) 0.361 1.322 ( -2.229 2.611 1.289) 3.667 1.383 ( -1.266 -3.367 -0.155) 3.601 1.797 ( -1.724 -1.203 0.687) 2.212 2.895 ( -9.822 9.274 1.280) 13.569 3.104 ( 2.761 -5.010 0.028) 5.720 3.580 ( 5.079 6.765 1.412) 8.576 3.664 ( 3.710 -3.096 -4.397) 6.533 3.897 ( -0.378 -2.048 0.647) 2.181 4.373 ( -4.081 6.027 2.197) 7.603 4.395 ( 2.423 -2.664 -0.272) 3.611 4.546 ( 0.834 -3.357 -1.371) 3.721======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 0.911 -0.006 -0.283) 0.954 1.254 ( -4.880 -2.102 1.259) 5.460 1.370 ( -0.259 1.050 0.989) 1.466 1.782 ( 0.477 -0.008 1.721) 1.786 2.710 ( -15.082 -0.217 1.485) 15.156 3.103 ( -0.826 -0.671 0.433) 1.149 3.641 ( 2.568 -5.009 -2.843) 6.306 3.773 ( 4.273 7.854 -2.865) 9.389 3.874 ( 0.480 -2.224 0.158) 2.281 4.304 ( -2.853 -5.723 0.102) 6.396 4.469 ( -0.066 4.151 1.998) 4.607 4.536 ( 3.733 0.535 -1.019) 3.906======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 0.000 0.219 -1.725) 1.739 1.156 ( 0.000 0.431 -9.567) 9.577 1.284 ( 0.000 -1.319 -0.672) 1.480 1.913 ( 0.000 8.814 -1.330) 8.914 1.941 ( -0.000 -4.063 3.941) 5.660 2.950 ( 0.000 16.028 -2.469) 16.217 3.655 ( -0.000 0.141 0.607) 0.623 3.808 ( 0.000 1.705 -0.536) 1.787 3.842 ( -0.000 -4.213 1.255) 4.396 4.114 ( 0.000 -4.436 -5.393) 6.983 4.276 ( -0.000 5.039 5.663) 7.581 5.051 ( 0.000 -4.679 -4.136) 6.245======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 2.823 1.458 0.063) 3.178 1.167 ( 4.149 -1.562 -5.850) 7.340 1.277 ( -0.023 1.111 -0.497) 1.217 1.905 ( -0.057 -4.075 3.949) 5.675 2.061 ( 8.002 6.458 -0.711) 10.307 3.076 ( 0.331 10.530 -1.824) 10.692 3.658 ( -0.752 1.035 -0.567) 1.400 3.758 ( -3.537 0.487 -1.812) 4.004 3.887 ( 5.988 -1.436 -0.372) 6.169 4.057 ( -0.374 -3.555 -3.870) 5.268 4.366 ( 0.483 7.602 4.398) 8.796 4.944 ( -4.764 -6.152 -2.187) 8.082======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 1.932 0.429 0.529) 2.049 1.209 ( 4.579 -0.850 -2.495) 5.283 1.326 ( 3.208 2.993 0.921) 4.483 1.875 ( 0.245 -4.866 2.729) 5.584 2.307 ( 14.054 6.009 -0.094) 15.285 3.153 ( 0.256 5.078 -0.588) 5.118 3.614 ( -4.390 1.767 -6.475) 8.020 3.723 ( -3.053 2.556 2.035) 4.472 3.958 ( 0.634 -1.762 1.206) 2.227 4.062 ( 8.994 -2.044 -3.236) 9.774 4.439 ( -1.643 6.907 1.088) 7.183 4.779 ( -6.633 -6.009 0.427) 8.960======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 0.036 -0.148 -0.113) 0.190 1.279 ( 3.880 0.564 -1.585) 4.230 1.399 ( 1.710 0.071 1.595) 2.339 1.837 ( -0.185 -3.791 0.431) 3.819 2.629 ( 16.996 4.270 0.210) 17.526 3.175 ( -1.565 0.994 0.037) 1.854 3.544 ( -3.405 3.548 -5.186) 7.147 3.692 ( -4.066 1.512 2.521) 5.017 3.928 ( -1.316 -1.611 1.262) 2.433 4.234 ( 11.429 -0.090 -1.981) 11.600 4.446 ( -3.839 4.411 -1.240) 5.978 4.627 ( -5.652 -4.302 2.280) 7.460======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -0.104 0.259 0.055) 0.285 1.334 ( 2.641 -0.242 -1.104) 2.873 1.381 ( -2.049 -2.507 0.264) 3.248 1.803 ( -0.583 -1.659 -0.610) 1.861 2.907 ( 13.264 -3.278 -1.215) 13.717 3.103 ( -6.553 -0.016 0.086) 6.553 3.589 ( 3.167 8.450 0.104) 9.025 3.634 ( -3.833 -0.605 1.449) 4.142 3.896 ( -1.184 -1.518 0.819) 2.092 4.381 ( 1.099 -1.848 -0.417) 2.190 4.411 ( 1.808 3.186 -2.765) 4.590 4.528 ( -2.962 -1.645 2.327) 4.110======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 0.105 0.181 -0.000) 0.209 1.289 ( -2.592 -4.490 -0.000) 5.184 1.382 ( 1.120 1.940 -0.000) 2.240 1.782 ( -0.408 -0.707 -0.000) 0.816 2.868 ( -6.151 -10.654 -0.000) 12.303 3.098 ( 1.816 3.145 -0.000) 3.632 3.566 ( -1.901 -3.292 -0.000) 3.801 3.771 ( 5.444 9.430 0.000) 10.889 3.862 ( -0.957 -1.657 -0.000) 1.913 4.279 ( -4.004 -6.935 -0.000) 8.008 4.504 ( 2.694 4.667 -0.000) 5.389 4.517 ( 0.582 1.009 0.000) 1.165======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 0.000 0.648 0.018) 0.649 1.101 ( 0.000 -0.297 -2.483) 2.501 1.284 ( 0.000 1.017 -0.227) 1.042 1.871 ( -0.000 -5.521 4.146) 6.905 2.050 ( 0.000 5.554 -0.290) 5.562 3.147 ( 0.000 5.733 -1.702) 5.980 3.666 ( -0.000 0.456 0.739) 0.869 3.788 ( 0.000 1.757 -6.885) 7.106 3.827 ( 0.000 0.736 -1.073) 1.301 4.021 ( 0.000 -3.191 -2.200) 3.876 4.472 ( -0.000 10.830 4.613) 11.772 4.904 ( -0.000 -8.776 -1.126) 8.848======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 3.523 -0.635 -1.286) 3.803 1.135 ( 2.819 2.186 1.762) 3.978 1.311 ( 1.729 1.826 1.674) 3.020 1.831 ( 0.156 -4.925 2.473) 5.513 2.162 ( 8.040 3.496 0.587) 8.787 3.180 ( 0.159 2.121 -1.292) 2.489 3.669 ( -1.554 1.309 -3.812) 4.320 3.784 ( -0.773 2.612 -1.092) 2.935 3.869 ( 5.256 0.935 -3.714) 6.503 3.982 ( -0.425 -2.643 -0.761) 2.783 4.573 ( -2.575 10.756 2.220) 11.280 4.784 ( -2.803 -9.561 0.994) 10.013======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 2.190 -0.367 -0.446) 2.265 1.207 ( 3.235 1.239 -0.810) 3.558 1.374 ( 2.113 0.476 3.067) 3.755 1.799 ( 0.426 -3.133 -0.051) 3.162 2.381 ( 14.291 0.771 1.166) 14.359 3.187 ( -0.114 -0.405 -0.901) 0.994 3.617 ( -3.372 2.401 -5.781) 7.110 3.778 ( -2.689 1.081 1.707) 3.363 3.941 ( -0.919 -0.547 1.111) 1.542 4.028 ( 11.194 0.849 -3.036) 11.630 4.595 ( -5.441 7.225 -0.465) 9.056 4.652 ( -3.867 -6.766 3.046) 8.367======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 0.297 0.618 0.153) 0.703 1.260 ( 3.350 -1.502 -2.032) 4.196 1.382 ( -0.612 -1.876 0.781) 2.122 1.786 ( 0.463 -0.782 -1.579) 1.822 2.616 ( 14.405 -5.546 -0.338) 15.440 3.151 ( -1.879 -2.644 -1.079) 3.418 3.623 ( 1.283 6.318 -1.446) 6.607 3.730 ( -4.330 0.127 3.347) 5.475 3.915 ( -1.900 -0.442 1.028) 2.205 4.229 ( 11.045 0.989 -2.426) 11.351 4.532 ( -6.157 -2.694 0.950) 6.788 4.553 ( -4.241 2.872 0.676) 5.167======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( -0.000 0.889 1.530) 1.770 1.142 ( -0.000 4.024 2.794) 4.898 1.321 ( -0.000 1.912 3.641) 4.112 1.792 ( -0.000 -3.808 1.166) 3.982 2.118 ( -0.000 0.992 1.086) 1.471 3.185 ( 0.000 0.177 -1.665) 1.675 3.675 ( -0.000 -0.232 0.751) 0.785 3.809 ( 0.000 4.686 -10.424) 11.429 3.825 ( 0.000 0.056 -1.617) 1.618 3.964 ( -0.000 -1.773 0.546) 1.855 4.675 ( 0.000 -4.499 -1.587) 4.770 4.748 ( -0.000 4.664 5.467) 7.186======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 1.338 0.525 1.250) 1.904 1.203 ( 0.792 3.507 0.588) 3.643 1.368 ( 0.987 1.433 5.787) 6.043 1.769 ( 0.289 -1.322 -0.582) 1.473 2.190 ( 8.159 -1.702 1.695) 8.505 3.173 ( -0.008 -1.827 -1.651) 2.463 3.658 ( -1.668 0.111 -2.814) 3.273 3.811 ( -0.939 -0.138 -0.648) 1.149 3.875 ( 6.927 2.747 -6.146) 9.659 3.955 ( -0.310 0.212 0.508) 0.632 4.575 ( -0.436 -10.603 1.687) 10.745 4.812 ( -5.008 10.340 2.273) 11.712======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( 2.116 -0.508 0.353) 2.204 1.230 ( -0.259 1.431 -0.910) 1.715 1.382 ( -0.971 -1.318 2.520) 3.005 1.774 ( 0.428 1.391 -1.449) 2.054 2.337 ( 11.782 -6.181 0.918) 13.336 3.130 ( -0.614 -4.781 -1.708) 5.114 3.650 ( 0.732 3.418 -0.926) 3.616 3.776 ( -1.716 -1.621 0.282) 2.377 3.949 ( -1.077 0.420 0.810) 1.412 4.050 ( 10.754 3.042 -3.524) 11.718 4.483 ( -0.045 -9.016 2.683) 9.407 4.785 ( -9.605 9.108 0.590) 13.250======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -0.000 0.463 1.714) 1.775 1.236 ( 0.000 3.504 -0.407) 3.527 1.404 ( -0.000 1.673 7.702) 7.882 1.768 ( 0.000 2.352 -0.140) 2.357 2.093 ( -0.000 -4.554 1.489) 4.791 3.139 ( 0.000 -4.340 -1.992) 4.776 3.666 ( -0.000 -0.862 0.428) 0.963 3.809 ( 0.000 1.634 -8.029) 8.194 3.814 ( 0.000 -0.236 -1.365) 1.385 3.964 ( 0.000 1.326 -1.137) 1.746 4.481 ( -0.000 -9.924 3.361) 10.478 4.965 ( 0.000 10.329 1.455) 10.431======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 0.386 -0.464 0.957) 1.131 1.254 ( -0.606 1.437 -1.187) 1.960 1.409 ( -2.009 -1.038 3.125) 3.857 1.804 ( -0.865 4.934 0.891) 5.088 2.111 ( 7.540 -7.223 1.165) 10.506 3.068 ( -0.207 -8.447 -2.119) 8.711 3.661 ( 0.520 1.198 0.660) 1.464 3.773 ( -1.089 -2.061 -2.754) 3.608 3.893 ( 7.155 1.200 -1.090) 7.337 3.978 ( 0.823 2.566 -3.456) 4.382 4.412 ( -0.074 -6.819 4.011) 7.911 5.013 ( -5.949 9.169 0.487) 10.941======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -0.000 -1.106 0.391) 1.173 1.260 ( 0.000 -0.588 -1.558) 1.666 1.419 ( 0.000 -2.163 -0.529) 2.227 1.897 ( -0.000 7.862 3.895) 8.774 1.958 ( -0.000 -9.680 0.356) 9.686 2.953 ( -0.000 -13.990 -2.448) 14.203 3.659 ( -0.000 0.006 0.821) 0.821 3.795 ( 0.000 -0.949 -1.078) 1.437 3.803 ( 0.000 1.227 -1.217) 1.728 3.983 ( 0.000 2.769 -3.893) 4.777 4.383 ( -0.000 -2.507 4.235) 4.922 5.150 ( 0.000 8.232 -0.339) 8.239======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( -0.000 0.000 17.917) 17.917 0.559 ( -0.000 0.000 17.917) 17.917 0.869 ( -0.000 0.000 29.907) 29.907 1.332 ( 0.000 -0.000 -2.825) 2.825 1.332 ( 0.000 -0.000 -2.825) 2.825 2.645 ( 0.000 -0.000 -12.842) 12.842 3.655 ( -0.000 0.000 0.960) 0.960 3.655 ( -0.000 0.000 0.960) 0.960 3.810 ( 0.000 -0.000 -1.411) 1.411 3.810 ( 0.000 -0.000 -1.411) 1.411 4.611 ( -0.000 0.000 1.967) 1.967 5.616 ( 0.000 -0.000 -0.317) 0.317======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.518 ( -0.847 -0.489 16.758) 16.787 0.590 ( -3.368 -1.944 20.415) 20.782 1.174 ( 10.657 6.153 14.527) 19.039 1.351 ( 2.013 1.162 -2.394) 3.336 1.414 ( 9.922 5.729 0.107) 11.458 2.311 ( -14.808 -8.550 -1.354) 17.153 3.659 ( 0.221 0.128 0.947) 0.981 3.809 ( -0.321 -0.186 -1.411) 1.459 3.810 ( 1.473 0.850 -0.211) 1.714 4.019 ( 18.167 10.489 -13.965) 25.201 4.659 ( 3.676 2.123 1.202) 4.412 5.478 ( -11.049 -6.379 0.384) 12.764======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( 0.976 0.563 13.399) 13.446 0.625 ( 5.920 3.418 10.624) 12.633 1.308 ( 2.224 1.284 -0.296) 2.585 1.410 ( 3.863 2.230 -1.652) 4.757 1.748 ( 15.211 8.782 2.774) 17.782 2.098 ( -3.836 -2.215 -0.163) 4.433 3.670 ( 0.451 0.260 0.630) 0.817 3.790 ( -0.914 -0.528 -1.302) 1.676 3.874 ( 3.663 2.115 2.723) 5.030 4.239 ( 6.443 3.720 -10.689) 13.023 4.743 ( 1.378 0.796 3.110) 3.494 5.182 ( -13.336 -7.699 -4.464) 16.033======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( 3.572 2.062 3.274) 5.266 0.809 ( 7.474 4.315 4.458) 9.714 1.324 ( -0.263 -0.152 -1.489) 1.519 1.521 ( 6.549 3.781 -0.743) 7.599 1.970 ( 4.316 2.492 -3.831) 6.286 2.203 ( 12.514 7.225 2.599) 14.681 3.683 ( 0.558 0.322 0.187) 0.671 3.766 ( -0.828 -0.478 -0.927) 1.332 3.969 ( 3.259 1.882 3.551) 5.174 4.311 ( 3.314 1.913 -6.079) 7.183 4.607 ( -16.422 -9.481 8.631) 20.834 4.981 ( -0.800 -0.462 -10.724) 10.764======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( 7.209 4.162 -1.732) 8.502 0.963 ( 5.358 3.093 0.496) 6.207 1.296 ( -1.754 -1.013 -0.609) 2.115 1.698 ( 9.003 5.198 -0.382) 10.403 2.034 ( 2.470 1.426 -1.724) 3.333 2.530 ( 15.066 8.699 0.321) 17.400 3.693 ( 0.429 0.248 -0.635) 0.805 3.753 ( -0.140 -0.081 0.230) 0.281 4.019 ( 0.036 0.021 1.739) 1.740 4.192 ( -19.597 -11.314 3.345) 22.874 4.374 ( 3.608 2.083 -2.920) 5.088 4.973 ( 0.780 0.451 -4.464) 4.554======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 8.824 5.094 -3.246) 10.693 1.055 ( 3.136 1.810 -1.263) 3.835 1.258 ( -0.887 -0.512 -0.085) 1.027 1.902 ( 8.847 5.108 -0.893) 10.255 2.051 ( -1.078 -0.623 -1.148) 1.694 2.857 ( 13.254 7.652 1.174) 15.349 3.699 ( 0.369 0.213 -1.446) 1.508 3.759 ( 0.285 0.164 1.718) 1.749 3.771 ( -15.959 -9.214 3.335) 18.727 4.026 ( -0.992 -0.573 -0.131) 1.152 4.455 ( 4.289 2.476 -2.104) 5.381 4.965 ( -1.043 -0.602 -1.155) 1.669======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 1.762 1.017 -1.820) 2.730 1.132 ( 3.069 1.772 -2.893) 4.575 1.305 ( 6.028 3.480 -2.796) 7.501 1.965 ( -6.063 -3.500 -1.504) 7.160 2.068 ( 5.904 3.408 -1.477) 6.975 3.096 ( 6.591 3.805 1.207) 7.706 3.540 ( -4.904 -2.831 7.713) 9.568 3.700 ( 0.050 0.029 -1.294) 1.295 3.772 ( 0.362 0.209 2.242) 2.280 4.001 ( -1.124 -0.649 -0.339) 1.341 4.557 ( 5.146 2.971 -0.556) 5.969 4.910 ( -3.334 -1.925 -1.679) 4.200======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 0.884 0.510 -1.807) 2.076 1.174 ( 2.091 1.207 -0.504) 2.467 1.439 ( 5.740 3.314 -8.018) 10.402 1.810 ( -5.738 -3.313 -0.422) 6.640 2.145 ( 1.156 0.667 -1.595) 2.080 3.156 ( -0.180 -0.104 0.898) 0.922 3.586 ( 4.003 2.311 12.008) 12.867 3.690 ( -0.691 -0.399 -0.630) 1.017 3.789 ( 0.449 0.259 1.875) 1.945 3.977 ( -0.736 -0.425 -0.862) 1.211 4.636 ( -1.255 -0.725 2.295) 2.714 4.850 ( 1.745 1.008 -4.634) 5.054======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( 0.126 0.073 -1.365) 1.372 1.229 ( 2.360 1.362 1.085) 2.933 1.466 ( -1.104 -0.638 -4.888) 5.052 1.779 ( 3.505 2.024 -2.546) 4.782 2.106 ( -4.184 -2.416 -1.172) 4.972 3.119 ( -4.007 -2.314 2.138) 5.097 3.670 ( -0.747 -0.431 -0.470) 0.982 3.720 ( 4.044 2.335 10.275) 11.286 3.800 ( 0.006 0.003 1.447) 1.447 3.964 ( -0.189 -0.109 -0.764) 0.794 4.509 ( -7.127 -4.115 -2.450) 8.586 4.976 ( 7.909 4.566 -0.830) 9.170======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( -0.000 -1.138 15.897) 15.938 0.827 ( -0.000 8.347 13.161) 15.584 1.193 ( -0.000 9.205 19.709) 21.752 1.319 ( 0.000 1.684 -3.987) 4.328 1.412 ( 0.000 9.585 0.197) 9.587 2.310 ( 0.000 -15.318 -4.351) 15.924 3.669 ( -0.000 0.574 0.742) 0.938 3.776 ( 0.000 -1.669 -1.277) 2.101 3.807 ( 0.000 1.861 -1.627) 2.472 3.976 ( 0.000 17.621 -9.532) 20.034 4.658 ( -0.000 3.057 1.386) 3.356 5.498 ( -0.000 -9.954 -0.508) 9.967======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( 2.565 7.227 8.663) 11.570 0.852 ( -8.103 8.971 13.732) 18.295 1.286 ( 0.696 2.138 0.617) 2.332 1.394 ( 2.872 4.764 -1.378) 5.731 1.640 ( 10.533 12.971 6.060) 17.774 2.128 ( -4.072 -6.627 -2.873) 8.292 3.677 ( -0.053 1.032 1.006) 1.442 3.762 ( 0.971 -2.447 -1.575) 3.067 3.850 ( 2.803 1.969 1.261) 3.650 4.143 ( 5.686 7.830 -9.558) 13.601 4.713 ( 2.608 1.066 1.696) 3.288 5.302 ( -10.035 -9.695 -2.836) 14.238======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( 1.036 7.912 2.069) 8.244 0.872 ( -3.725 9.548 10.047) 14.352 1.310 ( 0.746 0.321 -1.440) 1.653 1.491 ( 3.357 6.829 -1.223) 7.708 1.911 ( 5.977 6.603 -2.476) 9.244 2.114 ( 6.525 4.989 2.017) 8.458 3.691 ( -0.225 1.365 1.016) 1.717 3.748 ( 0.810 -2.399 -1.853) 3.138 3.941 ( 3.820 2.219 3.474) 5.620 4.242 ( 4.066 2.170 -6.465) 7.940 4.718 ( -3.194 -8.247 7.269) 11.448 5.020 ( -9.931 -2.830 -9.829) 14.256======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( 0.685 8.292 0.715) 8.351 0.966 ( 1.081 7.863 3.014) 8.490 1.303 ( -0.719 -1.147 -0.512) 1.447 1.644 ( 5.756 8.998 -0.210) 10.684 2.000 ( 2.819 2.608 -1.865) 4.269 2.390 ( 12.938 11.050 0.345) 17.018 3.700 ( -0.464 0.768 0.896) 1.268 3.735 ( 0.841 -1.601 -1.612) 2.423 4.013 ( 1.529 0.657 1.925) 2.544 4.308 ( 4.028 0.964 -3.182) 5.223 4.430 ( -17.383 -11.107 3.980) 21.009 4.933 ( 0.926 -0.328 -5.923) 6.004======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 3.788 8.472 1.532) 9.406 1.058 ( 1.366 6.162 -0.950) 6.383 1.268 ( -1.233 -1.401 -0.026) 1.867 1.843 ( 6.553 9.499 -0.222) 11.542 2.050 ( 0.845 1.378 -0.878) 1.840 2.723 ( 13.208 10.571 0.625) 16.929 3.681 ( -1.561 -3.207 0.961) 3.694 3.737 ( 1.128 -0.639 -0.898) 1.577 4.011 ( -5.732 -1.588 2.347) 6.394 4.056 ( -12.331 -2.419 -0.877) 12.597 4.387 ( 4.456 0.964 -2.196) 5.060 4.934 ( 1.770 -2.993 -1.173) 3.669======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 2.146 3.779 0.576) 4.384 1.131 ( 0.878 4.882 -2.344) 5.487 1.269 ( 2.135 2.633 -0.496) 3.426 1.980 ( -0.145 -1.207 -0.922) 1.526 2.076 ( 1.052 8.891 -1.505) 9.079 3.015 ( 9.622 7.142 1.768) 12.113 3.570 ( -3.885 -7.691 3.820) 9.426 3.755 ( 0.722 1.660 -0.940) 2.040 3.840 ( -8.613 5.566 2.430) 10.539 4.007 ( -0.770 -1.117 -0.480) 1.439 4.474 ( 5.923 0.924 -2.203) 6.387 4.909 ( -0.494 -4.624 -0.212) 4.655======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 0.662 1.731 -1.122) 2.166 1.162 ( 0.682 1.900 -0.895) 2.208 1.368 ( 4.153 4.571 -4.253) 7.499 1.870 ( -5.788 -4.497 -1.211) 7.428 2.186 ( -0.483 9.375 -1.790) 9.557 3.156 ( 1.590 1.775 0.923) 2.556 3.539 ( 3.686 -2.087 8.444) 9.448 3.785 ( -0.428 4.525 -0.823) 4.619 3.797 ( -4.055 3.770 3.624) 6.618 3.982 ( -0.741 -0.920 -0.655) 1.350 4.593 ( 6.846 0.786 0.248) 6.896 4.824 ( -2.612 -5.279 -2.841) 6.539======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.179 1.036 -1.529) 1.856 1.203 ( 2.244 1.613 0.335) 2.784 1.427 ( 1.677 0.234 -6.408) 6.628 1.766 ( -1.587 -0.917 0.095) 1.836 2.207 ( -5.630 6.266 -1.760) 8.606 3.157 ( -1.888 -0.945 1.696) 2.708 3.622 ( 3.653 -1.198 4.836) 6.178 3.789 ( -1.554 0.896 4.659) 4.992 3.831 ( -1.028 7.760 1.989) 8.076 3.964 ( -0.300 -0.301 -1.129) 1.207 4.586 ( -6.917 -4.387 -0.569) 8.211 4.836 ( 9.923 -0.499 -2.668) 10.288======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( -0.000 12.514 4.082) 13.163 1.014 ( -0.000 4.062 5.479) 6.820 1.367 ( -0.000 3.237 3.169) 4.530 1.370 ( 0.000 6.390 -2.896) 7.016 1.721 ( -0.000 16.571 7.125) 18.037 2.082 ( 0.000 -5.414 -4.519) 7.052 3.684 ( -0.000 0.412 0.434) 0.599 3.738 ( 0.000 -1.255 -0.747) 1.460 3.834 ( -0.000 1.331 1.300) 1.861 4.154 ( 0.000 6.922 -5.608) 8.909 4.696 ( -0.000 -2.206 2.850) 3.604 5.281 ( 0.000 -8.909 -5.791) 10.625======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -0.749 11.417 -1.166) 11.500 1.035 ( -2.260 3.908 3.739) 5.862 1.337 ( -3.010 2.531 0.364) 3.950 1.501 ( 4.072 7.455 -1.634) 8.651 1.914 ( 2.217 9.667 -1.012) 9.969 2.081 ( 4.010 6.303 1.027) 7.541 3.697 ( 1.189 -1.485 -0.690) 2.024 3.717 ( -0.863 0.750 0.360) 1.199 3.899 ( 4.343 1.530 3.207) 5.612 4.204 ( 1.413 3.070 -3.387) 4.785 4.662 ( 0.370 -9.645 5.012) 10.876 5.121 ( -7.595 -3.548 -9.384) 12.583======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -0.488 9.096 -3.995) 9.947 1.063 ( -1.166 5.645 2.936) 6.469 1.312 ( -1.696 -0.192 0.583) 1.803 1.656 ( 4.690 10.365 -0.446) 11.385 1.986 ( 1.881 3.650 -1.335) 4.318 2.324 ( 9.169 14.686 0.108) 17.314 3.683 ( 0.975 -2.623 -1.163) 3.030 3.729 ( -0.505 1.383 0.322) 1.507 3.992 ( 2.982 0.912 2.778) 4.176 4.249 ( 2.910 1.277 -1.108) 3.365 4.519 ( -5.570 -14.204 4.125) 15.804 4.953 ( -6.224 0.691 -8.572) 10.616======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 2.295 9.956 0.232) 10.219 1.113 ( -0.315 5.719 0.500) 5.749 1.275 ( -1.607 -1.607 0.406) 2.309 1.847 ( 5.169 10.442 0.118) 11.652 2.055 ( 1.784 4.260 0.509) 4.647 2.635 ( 10.804 13.847 -0.590) 17.573 3.672 ( 0.173 -3.713 1.224) 3.914 3.714 ( -0.770 -0.492 -2.514) 2.675 4.019 ( -0.146 -0.719 0.739) 1.041 4.266 ( -10.619 -4.865 0.530) 11.692 4.324 ( 3.086 0.479 -0.238) 3.132 4.871 ( -0.399 -3.161 -3.010) 4.383======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( -0.309 6.666 4.166) 7.866 1.165 ( -0.096 4.448 -1.607) 4.730 1.260 ( 1.672 2.151 -0.598) 2.789 1.970 ( 0.883 0.669 -0.067) 1.110 2.160 ( 1.706 12.728 0.154) 12.842 2.933 ( 10.055 9.908 0.982) 14.150 3.577 ( -4.270 -6.741 1.965) 8.218 3.723 ( 2.679 -0.264 -2.977) 4.013 3.997 ( -0.907 -1.711 0.991) 2.175 4.087 ( -10.290 5.675 0.080) 11.752 4.387 ( 3.831 0.316 -1.566) 4.151 4.839 ( 1.877 -6.251 -0.059) 6.527======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( -2.102 2.813 1.461) 3.804 1.176 ( -0.272 2.349 0.246) 2.377 1.354 ( 2.668 5.385 -1.694) 6.244 1.910 ( -4.330 -4.063 -0.682) 5.976 2.317 ( -0.763 15.345 -1.013) 15.397 3.136 ( 4.548 3.980 1.085) 6.140 3.495 ( 0.850 -3.172 5.167) 6.122 3.762 ( 2.767 -0.274 -1.770) 3.296 3.974 ( -0.338 -1.386 0.842) 1.656 4.007 ( -8.357 9.028 0.936) 12.338 4.466 ( 6.658 -0.358 -1.546) 6.844 4.790 ( -0.437 -7.038 -0.604) 7.077======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -1.088 1.997 0.044) 2.274 1.199 ( 0.095 2.370 0.729) 2.481 1.404 ( 0.194 1.246 -3.234) 3.471 1.798 ( -3.613 -2.207 0.265) 4.242 2.394 ( -6.159 12.418 -1.475) 13.939 3.178 ( -0.749 -0.302 1.027) 1.307 3.562 ( 4.851 -0.045 5.753) 7.525 3.788 ( 1.262 -1.155 -0.355) 1.747 3.953 ( -0.251 -0.944 -1.374) 1.686 3.999 ( -4.981 10.611 3.042) 12.110 4.590 ( 7.170 -1.305 0.555) 7.309 4.682 ( -1.646 -6.874 -3.280) 7.793======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 0.000 10.572 -3.440) 11.117 1.063 ( 0.000 0.702 -1.302) 1.479 1.391 ( 0.000 -1.011 -2.072) 2.306 1.525 ( 0.000 9.994 -1.184) 10.064 1.957 ( 0.000 2.962 -3.531) 4.609 2.167 ( 0.000 17.545 3.213) 17.837 3.679 ( -0.000 -1.188 0.883) 1.480 3.735 ( 0.000 1.380 -0.809) 1.600 3.878 ( -0.000 1.279 4.544) 4.721 4.215 ( 0.000 1.993 -0.585) 2.077 4.560 ( -0.000 -13.879 3.812) 14.393 5.131 ( 0.000 -1.130 -10.106) 10.169======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.984 ( -2.143 6.639 -6.517) 9.547 1.096 ( 2.045 2.876 -1.429) 3.807 1.344 ( -2.006 -1.548 -1.284) 2.840 1.669 ( 4.856 10.162 -1.229) 11.329 1.984 ( 1.570 2.232 -0.992) 2.904 2.389 ( 3.242 19.763 0.203) 20.029 3.660 ( -0.761 -1.334 0.506) 1.617 3.749 ( -0.187 1.472 -0.326) 1.519 3.946 ( 3.989 0.627 4.381) 5.958 4.233 ( 0.651 0.965 1.313) 1.755 4.418 ( -0.366 -15.646 1.326) 15.707 5.047 ( -5.720 0.621 -8.610) 10.356======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 2.998 7.383 -2.821) 8.453 1.152 ( 1.216 3.822 -1.524) 4.291 1.293 ( -1.851 -1.930 -0.210) 2.682 1.855 ( 5.231 9.015 -0.247) 10.426 2.054 ( 3.962 3.697 0.802) 5.478 2.647 ( 5.448 17.871 -1.347) 18.731 3.642 ( -0.206 -1.242 0.736) 1.458 3.729 ( -2.428 -1.602 -1.245) 3.164 4.009 ( 1.533 -0.555 1.596) 2.281 4.269 ( 2.183 -6.722 0.086) 7.068 4.290 ( 0.502 -2.258 1.604) 2.815 4.912 ( -7.205 -0.704 -5.110) 8.861======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 2.617 3.299 1.963) 4.646 1.212 ( 1.065 6.660 -0.899) 6.804 1.254 ( 0.202 0.362 -0.819) 0.918 1.961 ( 1.160 0.673 0.929) 1.631 2.227 ( 6.610 12.253 0.786) 13.944 2.898 ( 6.541 12.822 -0.477) 14.402 3.593 ( -4.038 -5.111 0.484) 6.532 3.670 ( 0.605 -0.943 -2.918) 3.126 3.999 ( -1.116 -1.662 0.541) 2.074 4.230 ( -0.346 0.367 -0.071) 0.509 4.345 ( 2.045 1.323 0.312) 2.455 4.780 ( -3.578 -4.362 -1.330) 5.797======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( -0.719 -0.511 -0.116) 0.890 1.243 ( -1.042 3.625 2.043) 4.289 1.358 ( 3.082 5.672 -0.532) 6.477 1.932 ( -2.607 -3.536 0.333) 4.406 2.468 ( 3.365 17.113 0.437) 17.447 3.094 ( 5.460 5.458 0.765) 7.758 3.484 ( -2.145 -3.231 0.934) 3.989 3.687 ( 3.067 -1.380 -2.702) 4.314 3.965 ( -0.809 -2.013 0.686) 2.275 4.227 ( -5.327 7.377 0.892) 9.143 4.383 ( 2.503 0.141 -0.891) 2.661 4.705 ( 0.894 -6.977 -0.203) 7.037======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -0.132 0.040 0.051) 0.146 1.263 ( -1.853 3.875 1.894) 4.694 1.412 ( -0.296 1.016 -1.203) 1.602 1.838 ( -3.672 -2.833 0.270) 4.646 2.630 ( -4.588 16.399 -0.103) 17.029 3.173 ( 1.289 -0.921 0.447) 1.646 3.501 ( 4.254 0.885 3.782) 5.760 3.718 ( 3.748 -2.689 -3.007) 5.506 3.937 ( -0.368 -1.952 -0.407) 2.028 4.213 ( -6.261 9.906 2.423) 11.966 4.442 ( 5.700 -1.591 -0.311) 5.926 4.645 ( -0.458 -6.724 -1.488) 6.902======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.402 -2.778) 2.807 1.061 ( 0.000 5.474 -9.291) 10.784 1.328 ( 0.000 -2.924 -2.426) 3.800 1.719 ( 0.000 10.387 -1.329) 10.472 1.982 ( -0.000 0.737 0.820) 1.103 2.566 ( 0.000 20.948 -1.236) 20.984 3.663 ( -0.000 -0.810 0.897) 1.209 3.767 ( 0.000 2.137 -0.662) 2.237 3.927 ( -0.000 -0.808 6.247) 6.299 4.236 ( -0.000 -3.179 0.598) 3.235 4.275 ( -0.000 -10.322 -0.053) 10.322 5.075 ( 0.000 0.004 -7.293) 7.293======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 1.198 3.679 -3.528) 5.237 1.130 ( 3.926 2.452 -5.772) 7.399 1.289 ( -0.800 -2.297 -1.192) 2.709 1.856 ( 4.344 9.144 -0.854) 10.159 2.009 ( 2.971 -0.117 1.864) 3.509 2.770 ( 1.491 18.895 -2.255) 19.087 3.655 ( -0.756 -0.144 1.582) 1.759 3.760 ( -2.814 -0.048 -1.267) 3.086 3.955 ( 3.830 -3.488 4.039) 6.569 4.137 ( 0.957 -8.831 -5.304) 10.346 4.288 ( 1.043 2.401 4.601) 5.293 5.003 ( -5.270 -1.233 -4.963) 7.344======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 4.468 2.749 1.077) 5.356 1.209 ( 4.508 2.486 -4.462) 6.813 1.258 ( -0.592 0.897 -0.152) 1.085 1.950 ( 0.801 -0.297 1.988) 2.164 2.164 ( 11.110 7.518 -0.242) 13.417 2.960 ( 2.287 14.201 -1.617) 14.474 3.617 ( -3.692 -3.233 -1.317) 5.081 3.688 ( -2.990 0.890 -0.200) 3.126 3.996 ( 0.720 -1.512 1.109) 2.008 4.114 ( 7.452 -4.889 -2.873) 9.364 4.348 ( 0.668 3.333 2.573) 4.263 4.859 ( -7.811 -2.493 -2.005) 8.441======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 0.037 -0.751 -0.004) 0.752 1.257 ( 2.440 1.061 -0.986) 2.837 1.353 ( 3.816 5.233 0.519) 6.498 1.927 ( -1.053 -4.147 1.172) 4.436 2.470 ( 13.181 11.312 0.050) 17.370 3.099 ( 1.588 7.409 -0.172) 7.580 3.505 ( -3.702 -1.979 -3.336) 5.361 3.668 ( -1.789 1.263 1.143) 2.470 3.966 ( -1.308 -1.871 0.384) 2.315 4.236 ( 8.536 -0.218 -0.900) 8.587 4.379 ( -0.662 2.324 -0.071) 2.417 4.702 ( -6.584 -3.285 0.407) 7.370======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -0.184 -0.319 -0.000) 0.369 1.305 ( 1.245 2.157 -0.000) 2.491 1.419 ( 0.201 0.349 -0.000) 0.402 1.857 ( -2.179 -3.773 -0.000) 4.357 2.783 ( 7.818 13.541 -0.000) 15.636 3.138 ( -0.683 -1.182 -0.000) 1.365 3.474 ( 1.308 2.266 0.000) 2.617 3.651 ( -0.554 -0.960 -0.000) 1.109 3.930 ( -1.015 -1.759 -0.000) 2.031 4.350 ( 2.288 3.963 0.000) 4.576 4.384 ( 0.287 0.498 -0.000) 0.575 4.588 ( -2.525 -4.373 -0.000) 5.049======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 0.000 0.920 -1.250) 1.552 1.072 ( 0.000 2.348 -7.865) 8.208 1.277 ( 0.000 -0.989 -0.903) 1.339 1.902 ( 0.000 9.044 -0.915) 9.090 1.977 ( -0.000 -3.037 3.729) 4.809 2.924 ( 0.000 16.183 -2.907) 16.442 3.662 ( -0.000 0.083 0.938) 0.942 3.800 ( 0.000 1.630 -0.982) 1.903 3.849 ( -0.000 -9.061 -0.020) 9.061 4.063 ( 0.000 -2.795 -4.862) 5.608 4.334 ( -0.000 5.147 6.033) 7.930 5.013 ( 0.000 -3.230 -3.748) 4.948======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 3.617 2.378 1.064) 4.458 1.118 ( 4.484 0.345 -4.425) 6.309 1.272 ( 0.208 1.424 -0.538) 1.537 1.940 ( -0.427 -3.186 3.265) 4.582 2.058 ( 7.930 6.191 0.145) 10.062 3.056 ( 0.705 11.164 -2.285) 11.417 3.644 ( -2.914 -1.304 -2.708) 4.186 3.746 ( -1.601 0.658 -0.620) 1.839 3.880 ( 7.365 -2.946 -1.221) 8.026 4.023 ( -0.643 -2.122 -2.791) 3.565 4.409 ( -0.710 6.821 4.468) 8.185 4.925 ( -4.291 -4.799 -1.699) 6.658======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( 1.443 -0.452 -0.083) 1.514 1.186 ( 4.964 0.370 -2.080) 5.395 1.338 ( 3.495 4.104 1.545) 5.607 1.897 ( -0.482 -5.482 1.924) 5.830 2.309 ( 14.020 6.491 0.516) 15.458 3.146 ( 0.815 5.441 -0.888) 5.573 3.551 ( -4.352 0.623 -6.598) 7.929 3.743 ( -2.456 2.761 2.167) 4.284 3.970 ( -0.113 -1.711 1.181) 2.082 4.030 ( 10.731 -1.997 -3.316) 11.407 4.452 ( -2.954 6.142 1.477) 6.973 4.784 ( -6.049 -4.861 0.581) 7.782======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( -0.000 1.274 0.862) 1.538 1.091 ( 0.000 2.501 0.410) 2.535 1.283 ( 0.000 2.094 0.084) 2.095 1.909 ( -0.000 -6.235 3.931) 7.371 2.050 ( 0.000 6.040 0.357) 6.050 3.129 ( 0.000 6.253 -2.040) 6.577 3.675 ( -0.000 0.400 1.134) 1.203 3.711 ( 0.000 -0.394 -9.178) 9.186 3.813 ( 0.000 0.598 -1.779) 1.877 4.005 ( 0.000 -2.055 -1.143) 2.351 4.515 ( -0.000 9.390 3.996) 10.205 4.896 ( -0.000 -7.277 -0.307) 7.283======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 2.242 0.569 0.055) 2.314 1.151 ( 2.189 2.155 1.515) 3.425 1.333 ( 2.142 3.680 3.032) 5.227 1.853 ( -0.373 -6.272 2.164) 6.646 2.171 ( 8.186 3.975 1.280) 9.190 3.167 ( 0.479 2.182 -1.375) 2.623 3.615 ( -4.061 2.164 -7.300) 8.629 3.780 ( 2.963 2.386 0.162) 3.808 3.833 ( 5.497 -0.734 -3.921) 6.792 3.979 ( -0.573 -1.613 0.069) 1.713 4.589 ( -2.998 8.728 1.105) 9.295 4.800 ( -2.801 -7.406 2.177) 8.212======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( -0.000 1.067 1.861) 2.145 1.164 ( -0.000 3.532 1.656) 3.901 1.369 ( -0.000 4.453 6.483) 7.865 1.803 ( -0.000 -5.455 1.065) 5.558 2.130 ( -0.000 1.282 1.464) 1.946 3.168 ( 0.000 0.075 -1.656) 1.657 3.682 ( -0.000 -0.479 0.839) 0.966 3.701 ( 0.000 4.831 -12.112) 13.040 3.807 ( 0.000 0.233 -1.994) 2.007 3.970 ( -0.000 -1.219 0.701) 1.407 4.657 ( 0.000 -2.513 -2.132) 3.295 4.802 ( -0.000 2.919 5.575) 6.292======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( -0.000 0.000 15.947) 15.947 0.719 ( -0.000 0.000 15.947) 15.947 1.147 ( -0.000 0.000 28.947) 28.947 1.300 ( 0.000 -0.000 -3.997) 3.997 1.300 ( 0.000 -0.000 -3.997) 3.997 2.506 ( 0.000 -0.000 -16.329) 16.329 3.665 ( -0.000 0.000 1.161) 1.161 3.665 ( -0.000 0.000 1.161) 1.161 3.796 ( 0.000 -0.000 -1.619) 1.619 3.796 ( 0.000 -0.000 -1.619) 1.619 4.630 ( -0.000 0.000 1.916) 1.916 5.613 ( 0.000 -0.000 -0.326) 0.326======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.674 ( -1.964 -1.134 16.144) 16.303 0.774 ( -3.065 -1.769 18.199) 18.539 1.254 ( 1.727 0.997 1.408) 2.441 1.325 ( 2.463 1.422 -3.231) 4.305 1.463 ( 13.040 7.529 11.396) 18.884 2.265 ( -11.307 -6.528 -7.973) 15.298 3.670 ( 0.116 0.067 1.184) 1.192 3.794 ( -0.284 -0.164 -1.844) 1.873 3.810 ( 2.651 1.531 0.209) 3.069 3.913 ( 14.911 8.609 -8.780) 19.326 4.671 ( 3.161 1.825 1.212) 3.846 5.481 ( -11.127 -6.424 0.164) 12.850======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( 3.083 1.780 12.298) 12.803 0.758 ( -2.911 -1.681 14.835) 15.211 1.288 ( 1.785 1.031 -3.557) 4.111 1.392 ( 4.391 2.535 -2.013) 5.456 1.774 ( 11.142 6.433 2.594) 13.124 2.093 ( -1.502 -0.867 -1.162) 2.087 3.677 ( 0.270 0.156 0.982) 1.030 3.775 ( -0.777 -0.449 -1.908) 2.108 3.901 ( 4.493 2.594 2.843) 5.916 4.142 ( 8.047 4.646 -9.589) 13.352 4.764 ( 4.054 2.341 1.376) 4.879 5.153 ( -16.972 -9.799 -1.689) 19.671======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( -0.122 -0.070 7.164) 7.165 0.862 ( 4.879 2.817 6.499) 8.601 1.308 ( 0.466 0.269 -1.534) 1.625 1.515 ( 6.960 4.018 -0.590) 8.058 1.939 ( 4.693 2.710 -2.626) 6.022 2.222 ( 11.521 6.652 1.437) 13.380 3.686 ( 0.233 0.134 0.614) 0.670 3.754 ( -0.406 -0.234 -1.526) 1.597 3.996 ( 2.716 1.568 1.932) 3.684 4.255 ( 4.907 2.833 -5.523) 7.913 4.678 ( -19.509 -11.264 5.774) 23.255 4.897 ( 2.390 1.380 -6.319) 6.896======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 5.463 3.154 3.659) 7.292 0.975 ( 3.838 2.216 1.947) 4.840 1.293 ( -1.485 -0.857 0.034) 1.715 1.696 ( 8.916 5.148 0.088) 10.296 2.018 ( 2.817 1.626 -1.575) 3.614 2.535 ( 15.135 8.738 0.753) 17.492 3.688 ( -0.085 -0.049 -0.649) 0.657 3.754 ( 0.633 0.365 0.176) 0.752 4.030 ( 0.208 0.120 0.351) 0.425 4.212 ( -20.159 -11.639 0.902) 23.295 4.346 ( 3.625 2.093 -2.956) 5.124 4.950 ( 1.951 1.126 -0.344) 2.279======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( 7.082 4.089 0.663) 8.205 1.047 ( 2.471 1.426 -0.454) 2.889 1.261 ( -0.867 -0.501 0.583) 1.159 1.896 ( 8.475 4.893 -0.299) 9.790 2.035 ( -1.247 -0.720 -2.196) 2.626 2.873 ( 13.618 7.862 2.160) 15.872 3.685 ( 0.219 0.126 -1.421) 1.444 3.775 ( 0.754 0.435 1.651) 1.866 3.806 ( -14.950 -8.632 3.819) 17.681 4.023 ( -0.798 -0.460 -0.117) 0.928 4.428 ( 4.642 2.680 -3.635) 6.476 4.964 ( -1.092 -0.631 0.993) 1.605======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 1.535 0.886 -1.513) 2.331 1.106 ( 3.503 2.023 -2.428) 4.718 1.288 ( 3.468 2.002 -1.022) 4.133 1.943 ( -5.787 -3.341 -3.026) 7.336 2.056 ( 5.616 3.242 -0.988) 6.560 3.110 ( 5.937 3.428 1.813) 7.091 3.622 ( -2.529 -1.460 9.416) 9.859 3.687 ( 0.256 0.148 -1.377) 1.408 3.794 ( 0.389 0.225 2.244) 2.288 3.999 ( -1.317 -0.760 0.112) 1.525 4.544 ( 6.668 3.850 -2.246) 8.020 4.899 ( -4.754 -2.745 -0.768) 5.543======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.663 ( -0.000 -4.982 17.147) 17.856 0.939 ( -0.000 6.014 10.318) 11.942 1.276 ( 0.000 1.948 -5.001) 5.367 1.302 ( -0.000 3.443 1.577) 3.787 1.481 ( -0.000 11.686 15.969) 19.788 2.238 ( 0.000 -11.598 -10.576) 15.695 3.676 ( -0.000 0.337 0.894) 0.956 3.765 ( 0.000 -1.430 -1.111) 1.811 3.794 ( 0.000 3.376 -1.117) 3.555 3.907 ( 0.000 14.356 -5.494) 15.372 4.671 ( -0.000 2.783 1.275) 3.061 5.493 ( -0.000 -10.891 -0.520) 10.903======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( 1.406 0.683 12.424) 12.522 0.963 ( -5.534 5.395 9.351) 12.132 1.272 ( -0.330 2.830 -2.696) 3.922 1.374 ( 2.470 5.174 -2.887) 6.420 1.710 ( 6.883 10.012 8.186) 14.651 2.089 ( -1.732 -4.953 -5.246) 7.419 3.687 ( 0.080 0.933 1.016) 1.381 3.747 ( 0.573 -2.285 -1.605) 2.851 3.866 ( 4.033 2.741 2.024) 5.280 4.062 ( 4.824 9.581 -7.569) 13.129 4.726 ( 2.799 2.274 1.230) 3.811 5.281 ( -10.351 -12.623 -1.788) 16.422======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( 0.619 2.191 4.416) 4.968 0.959 ( -4.105 6.729 7.726) 11.037 1.297 ( 0.687 1.709 -0.881) 2.042 1.479 ( 4.021 7.284 -1.322) 8.425 1.892 ( 4.166 5.293 -1.385) 6.876 2.128 ( 7.442 5.544 0.842) 9.318 3.700 ( -0.313 1.440 0.970) 1.764 3.729 ( 0.816 -2.444 -2.031) 3.280 3.971 ( 3.473 2.313 2.641) 4.938 4.185 ( 4.624 4.351 -5.316) 8.281 4.785 ( 0.565 -5.764 6.759) 8.900 4.935 ( -13.315 -6.476 -7.983) 16.821======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 2.204 6.006 2.412) 6.837 1.005 ( -0.957 6.185 4.629) 7.784 1.302 ( -0.740 -0.684 0.452) 1.105 1.644 ( 5.950 9.204 0.214) 10.962 1.986 ( 3.038 3.324 -1.131) 4.643 2.393 ( 12.887 10.530 0.176) 16.643 3.702 ( -0.888 0.754 -0.887) 1.464 3.725 ( 1.547 -1.558 -0.056) 2.196 4.023 ( 0.760 0.557 0.144) 0.953 4.280 ( 3.932 2.297 -2.731) 5.311 4.454 ( -18.677 -11.891 1.150) 22.171 4.899 ( 3.426 -0.332 -0.913) 3.562======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 3.653 8.522 3.319) 9.848 1.060 ( -0.131 4.827 1.323) 5.007 1.271 ( -1.212 -1.458 0.603) 1.990 1.843 ( 6.263 9.347 0.267) 11.254 2.040 ( 0.333 1.884 -1.292) 2.309 2.733 ( 13.984 10.550 1.444) 17.577 3.684 ( -1.482 -1.011 -0.649) 1.908 3.735 ( 1.805 -2.675 0.579) 3.279 4.023 ( -0.805 -0.623 -1.489) 1.804 4.053 ( -16.528 -3.641 2.169) 17.063 4.362 ( 3.799 1.530 -3.074) 5.121 4.936 ( 2.403 -3.241 1.542) 4.319======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( -0.069 4.237 2.555) 4.948 1.111 ( 0.778 5.127 -1.916) 5.528 1.268 ( 1.499 1.601 0.259) 2.208 1.966 ( -1.198 -1.496 -2.120) 2.858 2.063 ( 1.078 9.408 -1.033) 9.526 3.034 ( 9.550 6.757 2.238) 11.911 3.609 ( -1.622 -6.268 4.259) 7.750 3.747 ( 0.862 0.992 -0.679) 1.479 3.863 ( -7.822 5.291 2.263) 9.711 4.007 ( -0.719 -1.394 0.647) 1.697 4.447 ( 6.213 1.671 -3.480) 7.314 4.913 ( -1.155 -5.182 0.869) 5.380======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( -0.000 5.926 8.427) 10.303 1.044 ( -0.000 1.218 0.643) 1.377 1.347 ( 0.000 7.580 -1.769) 7.784 1.365 ( 0.000 2.917 -3.096) 4.254 1.794 ( -0.000 11.446 7.308) 13.580 2.037 ( 0.000 -2.308 -4.338) 4.914 3.690 ( -0.000 0.467 0.941) 1.050 3.731 ( 0.000 -1.282 -0.734) 1.477 3.853 ( -0.000 2.631 2.587) 3.690 4.104 ( 0.000 8.911 -4.893) 10.166 4.722 ( -0.000 -0.237 2.663) 2.674 5.231 ( 0.000 -12.793 -4.852) 13.683======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( -1.963 5.955 0.583) 6.297 1.051 ( 0.008 1.941 -0.159) 1.948 1.334 ( -2.223 2.606 -0.817) 3.521 1.483 ( 4.438 8.121 -1.995) 9.467 1.902 ( 1.240 5.836 -1.369) 6.121 2.096 ( 4.168 9.074 2.066) 10.197 3.693 ( -0.168 -1.747 -0.078) 1.756 3.719 ( 0.042 1.182 -0.026) 1.183 3.933 ( 4.308 2.049 3.831) 6.118 4.172 ( 1.128 5.460 -3.134) 6.395 4.713 ( 1.205 -8.847 5.779) 10.636 5.034 ( -8.012 -6.031 -8.941) 13.435======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 1.057 7.360 -2.668) 7.900 1.084 ( 0.049 3.647 1.432) 3.919 1.319 ( -1.427 -0.268 0.680) 1.604 1.653 ( 5.308 10.501 -0.304) 11.770 1.978 ( 2.404 4.489 -0.566) 5.123 2.325 ( 8.481 13.898 0.059) 16.281 3.672 ( 0.516 -1.946 -0.956) 2.228 3.733 ( -0.436 0.907 0.335) 1.060 4.014 ( 1.814 0.673 1.638) 2.535 4.241 ( 2.851 3.299 -0.669) 4.412 4.555 ( -7.012 -16.537 3.287) 18.260 4.883 ( -3.626 1.638 -5.707) 6.957======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 4.413 10.219 0.365) 11.137 1.124 ( -0.344 3.954 1.564) 4.266 1.282 ( -1.759 -1.825 0.815) 2.663 1.849 ( 5.202 10.201 0.258) 11.453 2.059 ( 1.624 5.125 0.251) 5.382 2.632 ( 11.451 13.595 0.096) 17.775 3.672 ( 1.894 -1.452 -1.605) 2.876 3.704 ( -2.517 -3.107 0.658) 4.052 4.023 ( -0.462 -0.549 0.077) 0.722 4.268 ( -10.934 -4.719 0.025) 11.909 4.319 ( 1.951 0.932 -0.904) 2.343 4.857 ( 1.590 -3.615 0.069) 3.950======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 0.140 5.326 -1.506) 5.537 1.166 ( -0.487 6.101 4.519) 7.608 1.257 ( 1.334 0.942 -0.023) 1.633 1.964 ( 0.295 0.881 -1.040) 1.395 2.162 ( 1.038 13.058 0.208) 13.101 2.945 ( 10.757 9.631 1.465) 14.513 3.598 ( -3.190 -6.758 2.426) 7.857 3.698 ( 3.187 -0.834 -2.162) 3.940 4.002 ( -0.767 -1.370 -0.049) 1.571 4.093 ( -9.823 5.537 1.372) 11.359 4.370 ( 3.145 1.025 -2.060) 3.897 4.844 ( 2.074 -6.855 1.074) 7.242======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 0.000 6.175 -3.317) 7.009 1.038 ( 0.000 0.308 -3.990) 4.002 1.359 ( 0.000 -0.752 -4.306) 4.371 1.515 ( 0.000 9.859 -0.793) 9.890 1.930 ( 0.000 3.903 -2.103) 4.434 2.197 ( 0.000 15.659 2.930) 15.931 3.690 ( -0.000 -1.424 1.248) 1.893 3.727 ( 0.000 1.588 -0.744) 1.754 3.925 ( -0.000 2.085 5.151) 5.557 4.208 ( 0.000 4.080 -0.931) 4.185 4.602 ( -0.000 -16.103 5.045) 16.875 5.035 ( 0.000 -0.742 -9.913) 9.941======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( -1.262 5.961 -6.497) 8.908 1.077 ( 3.334 1.710 -2.577) 4.548 1.329 ( -0.712 -1.602 -1.883) 2.573 1.657 ( 5.034 10.178 -1.144) 11.412 1.978 ( 1.826 3.524 -0.272) 3.979 2.392 ( 2.745 18.112 0.244) 18.321 3.670 ( -1.070 -0.884 1.482) 2.031 3.742 ( -0.047 1.189 -0.963) 1.531 3.986 ( 2.574 0.736 3.776) 4.629 4.245 ( 0.726 2.728 1.175) 3.058 4.435 ( -0.297 -18.880 2.069) 18.995 4.971 ( -4.950 2.072 -7.266) 9.033======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 5.041 8.913 -1.930) 10.420 1.139 ( 2.231 2.294 -1.463) 3.519 1.289 ( -1.175 -2.364 -0.646) 2.717 1.852 ( 5.783 9.388 -0.328) 11.031 2.059 ( 4.020 3.971 0.252) 5.656 2.636 ( 5.652 17.291 -0.774) 18.208 3.654 ( -0.806 -0.131 1.750) 1.931 3.716 ( -2.562 -2.781 -1.452) 4.050 4.020 ( 0.450 -0.659 0.739) 1.088 4.268 ( 1.678 -10.833 -0.033) 10.962 4.307 ( 0.610 1.063 1.666) 2.068 4.872 ( -5.661 -0.031 -3.017) 6.414======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( 0.796 1.379 0.000) 1.592 1.205 ( 5.436 9.415 -0.000) 10.872 1.251 ( -0.621 -1.075 0.000) 1.242 1.965 ( 0.754 1.306 -0.000) 1.508 2.231 ( 6.913 11.973 -0.000) 13.826 2.896 ( 7.294 12.633 -0.000) 14.587 3.597 ( -3.946 -6.835 -0.000) 7.892 3.654 ( 0.167 0.289 -0.000) 0.334 4.002 ( -0.956 -1.657 -0.000) 1.913 4.230 ( 0.107 0.186 -0.000) 0.215 4.346 ( 0.915 1.585 0.000) 1.830 4.774 ( -2.543 -4.405 -0.000) 5.086======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 0.000 4.510 -9.831) 10.816 1.028 ( 0.000 1.199 -3.183) 3.401 1.309 ( 0.000 -2.047 -1.663) 2.637 1.707 ( 0.000 10.316 -1.047) 10.369 1.992 ( -0.000 2.201 1.177) 2.496 2.555 ( 0.000 19.401 -1.205) 19.438 3.672 ( -0.000 -0.848 0.958) 1.279 3.761 ( 0.000 2.025 -0.572) 2.104 3.983 ( -0.000 -0.324 5.279) 5.289 4.225 ( -0.000 -14.047 -1.604) 14.138 4.293 ( -0.000 -1.940 2.768) 3.380 5.011 ( 0.000 1.470 -6.034) 6.210======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( 3.364 6.376 -4.045) 8.266 1.084 ( 4.543 1.251 -3.743) 6.018 1.279 ( -0.701 -1.926 -0.990) 2.276 1.848 ( 4.793 9.697 -0.690) 10.839 2.026 ( 2.194 0.641 1.666) 2.829 2.749 ( 1.781 18.168 -2.026) 18.367 3.671 ( -0.155 -0.630 1.711) 1.830 3.746 ( -3.374 -0.155 -1.476) 3.686 3.993 ( 2.419 -4.108 3.941) 6.186 4.089 ( 2.317 -11.103 -4.649) 12.258 4.329 ( 0.266 3.351 3.935) 5.175 4.962 ( -4.663 -0.044 -3.671) 5.934======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( 0.000 5.255 -4.690) 7.044 1.047 ( 0.000 1.872 -0.463) 1.928 1.268 ( 0.000 -0.950 -0.920) 1.322 1.896 ( 0.000 9.381 -0.339) 9.387 2.010 ( -0.000 -2.101 3.085) 3.733 2.897 ( 0.000 16.054 -2.782) 16.294 3.672 ( -0.000 0.120 1.222) 1.228 3.789 ( 0.000 1.341 -1.371) 1.918 3.838 ( -0.000 -14.224 -2.474) 14.438 4.030 ( 0.000 -1.164 -1.897) 2.226 4.386 ( -0.000 5.410 5.049) 7.399 4.982 ( 0.000 -2.014 -2.701) 3.369======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( -0.000 0.000 13.482) 13.482 0.858 ( -0.000 0.000 13.482) 13.482 1.257 ( 0.000 -0.000 -5.195) 5.195 1.257 ( 0.000 -0.000 -5.195) 5.195 1.415 ( -0.000 0.000 27.601) 27.601 2.338 ( 0.000 -0.000 -19.279) 19.279 3.677 ( -0.000 0.000 1.197) 1.197 3.677 ( -0.000 0.000 1.197) 1.197 3.780 ( 0.000 -0.000 -1.569) 1.569 3.780 ( 0.000 -0.000 -1.569) 1.569 4.646 ( -0.000 0.000 1.505) 1.505 5.611 ( 0.000 -0.000 -0.269) 0.269======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( -2.206 -1.274 14.304) 14.529 0.925 ( -1.852 -1.069 13.300) 13.471 1.228 ( 0.549 0.317 -4.944) 4.985 1.291 ( 3.109 1.795 -4.032) 5.399 1.602 ( 7.714 4.454 16.621) 18.858 2.168 ( -6.799 -3.925 -12.367) 14.648 3.681 ( 0.065 0.038 1.156) 1.159 3.776 ( -0.367 -0.212 -1.901) 1.947 3.814 ( 3.912 2.258 0.648) 4.563 3.848 ( 11.488 6.633 -5.195) 14.247 4.681 ( 2.759 1.593 0.876) 3.304 5.482 ( -10.989 -6.345 0.110) 12.689======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( 1.160 0.670 11.794) 11.870 0.880 ( -4.927 -2.845 9.558) 11.124 1.254 ( 2.643 1.526 -2.565) 3.987 1.372 ( 5.142 2.969 -2.195) 6.330 1.799 ( 6.545 3.778 2.839) 8.073 2.075 ( 1.803 1.041 -2.682) 3.395 3.688 ( 0.220 0.127 1.133) 1.161 3.755 ( -0.777 -0.449 -2.160) 2.339 3.923 ( 4.645 2.682 1.391) 5.541 4.065 ( 8.818 5.091 -6.063) 11.850 4.770 ( 4.729 2.731 -0.159) 5.463 5.148 ( -18.120 -10.462 0.558) 20.931======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( -1.332 -0.769 7.286) 7.446 0.927 ( 2.584 1.492 7.028) 7.635 1.302 ( 1.113 0.643 0.433) 1.356 1.511 ( 7.510 4.336 -0.276) 8.676 1.921 ( 4.687 2.706 -1.130) 5.529 2.229 ( 11.364 6.561 -0.141) 13.123 3.693 ( -0.247 -0.143 0.768) 0.820 3.738 ( 0.192 0.111 -1.706) 1.721 4.000 ( 2.132 1.231 -1.347) 2.806 4.214 ( 5.701 3.292 -2.836) 7.168 4.695 ( -20.496 -11.834 -2.424) 23.791 4.883 ( 3.782 2.183 3.704) 5.726======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( 4.155 2.399 7.888) 9.233 0.999 ( 2.278 1.315 2.912) 3.924 1.297 ( -1.398 -0.807 0.837) 1.819 1.699 ( 8.902 5.139 0.592) 10.296 2.004 ( 2.634 1.521 -1.381) 3.340 2.544 ( 15.734 9.084 1.045) 18.199 3.681 ( -0.540 -0.312 -0.806) 1.019 3.757 ( 1.345 0.777 0.340) 1.590 4.021 ( 0.331 0.191 -2.471) 2.501 4.216 ( -17.597 -10.160 0.386) 20.323 4.319 ( 1.651 0.953 -2.713) 3.316 4.965 ( 2.060 1.189 3.453) 4.193======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( -0.000 -5.471 15.578) 16.511 1.016 ( -0.000 2.809 5.210) 5.919 1.231 ( 0.000 3.085 -4.048) 5.089 1.278 ( 0.000 3.954 -4.743) 6.174 1.655 ( -0.000 6.546 18.819) 19.925 2.119 ( 0.000 -7.186 -14.024) 15.758 3.685 ( -0.000 0.200 0.905) 0.927 3.756 ( 0.000 -1.179 -0.754) 1.400 3.788 ( 0.000 4.942 -0.090) 4.943 3.866 ( 0.000 11.340 -3.408) 11.841 4.681 ( -0.000 2.650 0.875) 2.791 5.489 ( -0.000 -11.553 -0.432) 11.561======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( -0.190 -3.385 11.642) 12.125 1.015 ( -2.664 1.803 1.122) 3.407 1.253 ( -0.288 4.488 -0.498) 4.524 1.342 ( 3.225 5.573 -3.602) 7.378 1.785 ( 2.300 5.583 7.061) 9.291 2.036 ( 1.212 -1.284 -5.461) 5.739 3.696 ( 0.203 0.741 0.755) 1.077 3.733 ( -0.086 -1.919 -1.119) 2.224 3.888 ( 4.606 3.614 2.449) 6.347 4.001 ( 4.119 10.105 -5.200) 12.088 4.735 ( 2.605 3.144 0.654) 4.135 5.268 ( -10.022 -14.677 -0.868) 17.794======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( 0.256 -2.168 3.899) 4.469 1.012 ( -1.951 4.565 3.720) 6.204 1.300 ( 0.767 2.399 1.616) 2.993 1.469 ( 4.872 7.873 -0.722) 9.287 1.886 ( 3.191 4.409 -0.021) 5.442 2.129 ( 7.652 6.342 -0.730) 9.965 3.706 ( -0.280 -0.495 -0.334) 0.659 3.713 ( 0.587 -0.445 -0.536) 0.911 3.984 ( 1.960 2.841 -0.111) 3.453 4.148 ( 5.452 5.382 -2.013) 7.921 4.821 ( 2.392 2.886 -2.189) 4.341 4.894 ( -14.434 -15.982 2.435) 21.672======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 4.085 3.410 4.877) 7.218 1.047 ( -1.225 4.805 3.935) 6.330 1.312 ( -0.986 -0.669 1.523) 1.934 1.648 ( 6.159 9.395 0.726) 11.257 1.979 ( 2.796 3.602 -0.408) 4.578 2.393 ( 13.376 10.662 -0.074) 17.105 3.687 ( -0.173 -0.897 -1.958) 2.161 3.732 ( 1.022 0.073 1.101) 1.504 4.014 ( 0.081 1.289 -2.025) 2.402 4.258 ( 3.156 2.617 -1.829) 4.490 4.452 ( -18.267 -11.160 -1.366) 21.450 4.916 ( 4.563 -1.596 4.103) 6.340======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( -0.000 0.022 8.831) 8.831 1.023 ( 0.000 -0.282 -5.103) 5.111 1.318 ( 0.000 3.056 -6.363) 7.058 1.340 ( 0.000 7.873 0.472) 7.887 1.838 ( -0.000 4.451 1.302) 4.637 2.017 ( 0.000 3.802 0.734) 3.873 3.699 ( -0.000 0.799 0.615) 1.008 3.727 ( -0.000 -1.562 0.042) 1.562 3.883 ( -0.000 3.867 3.685) 5.342 4.063 ( 0.000 9.984 -3.810) 10.686 4.745 ( -0.000 2.062 2.184) 3.003 5.190 ( -0.000 -16.552 -3.695) 16.959======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( -3.007 0.609 -0.713) 3.150 1.038 ( 2.382 1.624 -2.124) 3.580 1.320 ( 0.006 1.983 -2.166) 2.937 1.468 ( 4.588 8.689 -0.780) 9.857 1.891 ( 1.673 4.577 -1.000) 4.974 2.116 ( 2.896 9.963 1.909) 10.549 3.697 ( -1.299 -1.409 0.872) 2.105 3.717 ( 0.678 1.023 -0.482) 1.318 3.967 ( 3.339 2.408 3.136) 5.175 4.148 ( 1.335 7.148 -1.688) 7.465 4.771 ( 2.127 -6.031 6.261) 8.950 4.954 ( -8.315 -10.173 -7.993) 15.379======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 3.219 5.575 -0.000) 6.438 1.091 ( 1.493 2.587 0.000) 2.987 1.323 ( -0.484 -0.839 -0.000) 0.968 1.651 ( 5.965 10.332 -0.000) 11.931 1.975 ( 2.709 4.692 -0.000) 5.418 2.325 ( 7.965 13.795 -0.000) 15.929 3.668 ( -0.665 -1.153 -0.000) 1.331 3.734 ( 0.235 0.408 -0.000) 0.471 4.022 ( 0.550 0.953 0.000) 1.100 4.238 ( 2.497 4.326 -0.000) 4.995 4.572 ( -9.722 -16.840 -0.000) 19.445 4.854 ( 0.498 0.862 -0.000) 0.996======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 0.000 1.121 -4.962) 5.087 0.990 ( 0.000 1.115 -6.083) 6.185 1.320 ( 0.000 0.625 -3.381) 3.438 1.510 ( 0.000 9.350 -0.218) 9.353 1.918 ( 0.000 4.874 -0.460) 4.896 2.220 ( 0.000 13.981 1.754) 14.091 3.698 ( -0.000 -1.322 0.120) 1.328 3.725 ( -0.000 1.392 0.681) 1.550 3.971 ( -0.000 2.343 4.362) 4.951 4.202 ( 0.000 5.806 -0.030) 5.806 4.653 ( -0.000 -18.991 5.517) 19.776 4.947 ( 0.000 0.670 -8.650) 8.676======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( -0.000 0.000 9.849) 9.849 0.970 ( -0.000 0.000 9.849) 9.849 1.204 ( 0.000 -0.000 -5.606) 5.606 1.204 ( 0.000 -0.000 -5.606) 5.606 1.666 ( -0.000 0.000 25.368) 25.368 2.145 ( 0.000 -0.000 -21.234) 21.234 3.687 ( -0.000 0.000 0.874) 0.874 3.687 ( -0.000 0.000 0.874) 0.874 3.767 ( 0.000 -0.000 -1.083) 1.083 3.767 ( 0.000 -0.000 -1.083) 1.083 4.657 ( -0.000 0.000 0.824) 0.824 5.608 ( 0.000 -0.000 -0.152) 0.152======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( -1.976 -1.141 11.192) 11.422 1.004 ( -2.183 -1.260 1.482) 2.924 1.192 ( 1.678 0.969 -0.581) 2.023 1.250 ( 3.928 2.268 -4.309) 6.257 1.758 ( 1.360 0.785 15.213) 15.294 2.041 ( -1.828 -1.056 -13.401) 13.566 3.690 ( 0.080 0.046 0.656) 0.662 3.760 ( -0.562 -0.325 -1.341) 1.490 3.811 ( 7.382 4.262 -2.676) 8.934 3.824 ( 6.632 3.829 1.154) 7.744 4.687 ( 2.473 1.428 0.329) 2.874 5.483 ( -10.751 -6.207 0.173) 12.415======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( -3.950 -2.281 -2.346) 5.130 0.952 ( -0.002 -0.001 9.449) 9.449 1.261 ( 3.077 1.777 4.316) 5.591 1.353 ( 6.076 3.508 -1.878) 7.262 1.827 ( 3.005 1.735 2.772) 4.441 2.043 ( 4.465 2.578 -3.759) 6.381 3.697 ( 0.427 0.247 0.812) 0.950 3.736 ( -1.036 -0.598 -1.754) 2.123 3.916 ( 4.065 2.347 -2.801) 5.466 4.039 ( 9.123 5.267 0.544) 10.548 4.762 ( 3.678 2.124 -1.359) 4.459 5.162 ( -16.945 -9.783 2.307) 19.702======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -0.000 -4.447 11.223) 12.072 1.020 ( 0.000 -1.002 -4.712) 4.817 1.218 ( -0.000 4.939 1.719) 5.230 1.226 ( 0.000 3.692 -5.795) 6.871 1.808 ( -0.000 0.157 10.225) 10.226 1.994 ( 0.000 -1.186 -8.974) 9.052 3.692 ( -0.000 0.152 0.328) 0.361 3.753 ( -0.000 -0.936 0.149) 0.947 3.793 ( 0.000 6.707 1.160) 6.807 3.840 ( 0.000 8.992 -2.158) 9.248 4.687 ( 0.000 2.673 0.298) 2.690 5.485 ( -0.000 -12.043 -0.299) 12.047======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -3.084 -5.342 0.000) 6.168 1.005 ( 0.607 1.051 -0.000) 1.214 1.257 ( 1.844 3.194 -0.000) 3.688 1.319 ( 3.744 6.485 -0.000) 7.488 1.824 ( 0.898 1.555 0.000) 1.795 2.004 ( 1.597 2.767 -0.000) 3.195 3.700 ( 0.358 0.620 -0.000) 0.716 3.728 ( -0.868 -1.504 -0.000) 1.737 3.903 ( 2.815 4.877 0.000) 5.631 3.972 ( 5.476 9.485 -0.000) 10.952 4.739 ( 2.120 3.673 -0.000) 4.241 5.264 ( -9.129 -15.811 -0.000) 18.257======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.32e-04 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 0.000 -0.000 -0.000) 0.000 1.025 ( 0.000 -0.000 -0.000) 0.000 1.169 ( -0.000 0.000 0.000) 0.000 1.169 ( -0.000 0.000 0.000) 0.000 1.849 ( 0.000 -0.000 -0.000) 0.000 1.982 ( -0.000 0.000 0.000) 0.000 3.691 ( -0.000 0.000 0.000) 0.000 3.691 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 4.661 ( -0.000 0.000 0.000) 0.000 5.608 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 144.679 144.679 216.640 0.000 -0.000 0.000 3/32928 20.0 34.428 34.428 41.243 0.000 -0.000 0.000 3/32928 30.0 18.301 18.301 19.998 0.000 -0.000 0.000 3/32928 40.0 12.337 12.337 12.789 0.000 -0.000 0.000 3/32928 50.0 9.345 9.345 9.335 0.000 -0.000 0.000 3/32928 60.0 7.579 7.579 7.360 0.000 -0.000 0.000 3/32928 70.0 6.415 6.415 6.094 0.000 -0.000 0.000 3/32928 80.0 5.584 5.584 5.214 0.000 -0.000 0.000 3/32928 90.0 4.957 4.957 4.565 0.000 -0.000 0.000 3/32928 100.0 4.464 4.464 4.067 0.000 -0.000 0.000 3/32928 110.0 4.065 4.065 3.670 0.000 -0.000 0.000 3/32928 120.0 3.734 3.734 3.347 0.000 -0.000 0.000 3/32928 130.0 3.454 3.454 3.078 0.000 -0.000 0.000 3/32928 140.0 3.214 3.214 2.850 0.000 -0.000 0.000 3/32928 150.0 3.006 3.006 2.654 0.000 -0.000 0.000 3/32928 160.0 2.824 2.824 2.484 0.000 -0.000 0.000 3/32928 170.0 2.663 2.663 2.335 0.000 -0.000 0.000 3/32928 180.0 2.519 2.519 2.203 0.000 -0.000 0.000 3/32928 190.0 2.390 2.390 2.086 0.000 -0.000 0.000 3/32928 200.0 2.274 2.274 1.980 0.000 -0.000 0.000 3/32928 210.0 2.169 2.169 1.885 0.000 -0.000 0.000 3/32928 220.0 2.073 2.073 1.799 0.000 -0.000 0.000 3/32928 230.0 1.985 1.985 1.720 0.000 -0.000 0.000 3/32928 240.0 1.905 1.905 1.648 0.000 -0.000 0.000 3/32928 250.0 1.830 1.830 1.582 0.000 -0.000 0.000 3/32928 260.0 1.762 1.762 1.521 0.000 -0.000 0.000 3/32928 270.0 1.698 1.698 1.465 0.000 -0.000 0.000 3/32928 280.0 1.639 1.639 1.412 0.000 -0.000 0.000 3/32928 290.0 1.584 1.584 1.364 0.000 -0.000 0.000 3/32928 300.0 1.532 1.532 1.318 0.000 -0.000 0.000 3/32928 310.0 1.484 1.484 1.276 0.000 -0.000 0.000 3/32928 320.0 1.438 1.438 1.236 0.000 -0.000 0.000 3/32928 330.0 1.395 1.395 1.198 0.000 -0.000 0.000 3/32928 340.0 1.355 1.355 1.163 0.000 -0.000 0.000 3/32928 350.0 1.317 1.317 1.130 0.000 -0.000 0.000 3/32928 360.0 1.281 1.281 1.099 0.000 -0.000 0.000 3/32928 370.0 1.247 1.247 1.069 0.000 -0.000 0.000 3/32928 380.0 1.215 1.215 1.041 0.000 -0.000 0.000 3/32928 390.0 1.184 1.184 1.014 0.000 -0.000 0.000 3/32928 400.0 1.155 1.155 0.989 0.000 -0.000 0.000 3/32928 410.0 1.128 1.128 0.965 0.000 -0.000 0.000 3/32928 420.0 1.101 1.101 0.942 0.000 -0.000 0.000 3/32928 430.0 1.076 1.076 0.920 0.000 -0.000 0.000 3/32928 440.0 1.052 1.052 0.899 0.000 -0.000 0.000 3/32928 450.0 1.029 1.029 0.880 0.000 -0.000 0.000 3/32928 460.0 1.007 1.007 0.861 0.000 -0.000 0.000 3/32928 470.0 0.986 0.986 0.842 0.000 -0.000 0.000 3/32928 480.0 0.966 0.966 0.825 0.000 -0.000 0.000 3/32928 490.0 0.946 0.946 0.808 0.000 -0.000 0.000 3/32928 500.0 0.927 0.927 0.792 0.000 -0.000 0.000 3/32928 510.0 0.909 0.909 0.776 0.000 -0.000 0.000 3/32928 520.0 0.892 0.892 0.762 0.000 -0.000 0.000 3/32928 530.0 0.876 0.876 0.747 0.000 -0.000 0.000 3/32928 540.0 0.860 0.860 0.733 0.000 -0.000 0.000 3/32928 550.0 0.844 0.844 0.720 0.000 -0.000 0.000 3/32928 560.0 0.829 0.829 0.707 0.000 -0.000 0.000 3/32928 570.0 0.815 0.815 0.695 0.000 -0.000 0.000 3/32928 580.0 0.801 0.801 0.683 0.000 -0.000 0.000 3/32928 590.0 0.788 0.788 0.671 0.000 -0.000 0.000 3/32928 600.0 0.775 0.775 0.660 0.000 -0.000 0.000 3/32928 610.0 0.762 0.762 0.650 0.000 -0.000 0.000 3/32928 620.0 0.750 0.750 0.639 0.000 -0.000 0.000 3/32928 630.0 0.738 0.738 0.629 0.000 -0.000 0.000 3/32928 640.0 0.727 0.727 0.619 0.000 -0.000 0.000 3/32928 650.0 0.716 0.716 0.610 0.000 -0.000 0.000 3/32928 660.0 0.705 0.705 0.601 0.000 -0.000 0.000 3/32928 670.0 0.695 0.695 0.592 0.000 -0.000 0.000 3/32928 680.0 0.684 0.684 0.583 0.000 -0.000 0.000 3/32928 690.0 0.675 0.675 0.574 0.000 -0.000 0.000 3/32928 700.0 0.665 0.665 0.566 0.000 -0.000 0.000 3/32928 710.0 0.656 0.656 0.558 0.000 -0.000 0.000 3/32928 720.0 0.647 0.647 0.551 0.000 -0.000 0.000 3/32928 730.0 0.638 0.638 0.543 0.000 -0.000 0.000 3/32928 740.0 0.629 0.629 0.536 0.000 -0.000 0.000 3/32928 750.0 0.621 0.621 0.529 0.000 -0.000 0.000 3/32928 760.0 0.613 0.613 0.522 0.000 -0.000 0.000 3/32928 770.0 0.605 0.605 0.515 0.000 -0.000 0.000 3/32928 780.0 0.597 0.597 0.508 0.000 -0.000 0.000 3/32928 790.0 0.590 0.590 0.502 0.000 -0.000 0.000 3/32928 800.0 0.583 0.583 0.496 0.000 -0.000 0.000 3/32928 810.0 0.576 0.576 0.490 0.000 -0.000 0.000 3/32928 820.0 0.569 0.569 0.484 0.000 -0.000 0.000 3/32928 830.0 0.562 0.562 0.478 0.000 -0.000 0.000 3/32928 840.0 0.555 0.555 0.472 0.000 -0.000 0.000 3/32928 850.0 0.549 0.549 0.467 0.000 -0.000 0.000 3/32928 860.0 0.542 0.542 0.461 0.000 -0.000 0.000 3/32928 870.0 0.536 0.536 0.456 0.000 -0.000 0.000 3/32928 880.0 0.530 0.530 0.451 0.000 -0.000 0.000 3/32928 890.0 0.524 0.524 0.446 0.000 -0.000 0.000 3/32928 900.0 0.518 0.518 0.441 0.000 -0.000 0.000 3/32928 910.0 0.513 0.513 0.436 0.000 -0.000 0.000 3/32928 920.0 0.507 0.507 0.431 0.000 -0.000 0.000 3/32928 930.0 0.502 0.502 0.427 0.000 -0.000 0.000 3/32928 940.0 0.497 0.497 0.422 0.000 -0.000 0.000 3/32928 950.0 0.491 0.491 0.418 0.000 -0.000 0.000 3/32928 960.0 0.486 0.486 0.413 0.000 -0.000 0.000 3/32928 970.0 0.481 0.481 0.409 0.000 -0.000 0.000 3/32928 980.0 0.476 0.476 0.405 0.000 -0.000 0.000 3/32928 990.0 0.472 0.472 0.401 0.000 -0.000 0.000 3/32928 1000.0 0.467 0.467 0.397 0.000 -0.000 0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:08:37]------------------------- _ ___ _ __ __| | / _ \ '_ 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