# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/553e67b5-69a4-4360-92e1-459ec485e379/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 RbNdS2 / R-3m (166) / materials id 9363](https://mdr.nims.go.jp/datasets/2533e9f1-d67e-4500-85eb-10856490fd82) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:18:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.084801856366786 1.203660912980393 7.605841863333324 b -2.084801856366782 1.203660912980393 7.605841863333324 c 0.000000000000001 -2.407321825960790 7.605841863333324Atomic positions (fractional): *1 S 0.23269495381726 0.23269495381727 0.23269495381726 32.065 2 S 0.76730504618274 0.76730504618274 0.76730504618274 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.169603712733569 0.000000000000000 0.000000000000000 b -2.084801856366783 3.610982738941183 0.000000000000000 c 0.000000000000000 0.000000000000000 22.817525589999995Atomic positions (fractional): *1 S 0.33333333333333 0.66666666666667 0.89936162048393 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.76730504618274 32.065 > 2 3 S 0.00000000000000 0.00000000000000 0.23269495381726 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.10063837951607 32.065 > 2 5 S 0.66666666666667 0.33333333333333 0.56602828715060 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.43397171284940 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Nd 0.66666666666667 0.33333333333333 0.83333333333333 144.242 > 4 11 Nd 0.33333333333333 0.66666666666667 0.16666666666667 144.242 > 4 12 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.508811138200706 0.000000000000000 0.000000000000000 b -6.254405569100349 10.832948216823549 0.000000000000000 c 0.000000000000000 0.000000000000000 22.817525589999995Atomic positions (fractional): *1 S 0.11111111111111 0.22222222222222 0.89936162048393 32.065 > 1 2 S 0.44444444444444 0.22222222222222 0.89936162048393 32.065 > 1 3 S 0.77777777777778 0.22222222222222 0.89936162048393 32.065 > 1 4 S 0.11111111111111 0.55555555555556 0.89936162048393 32.065 > 1 5 S 0.44444444444444 0.55555555555556 0.89936162048393 32.065 > 1 6 S 0.77777777777778 0.55555555555556 0.89936162048393 32.065 > 1 7 S 0.11111111111111 0.88888888888889 0.89936162048393 32.065 > 1 8 S 0.44444444444444 0.88888888888889 0.89936162048393 32.065 > 1 9 S 0.77777777777778 0.88888888888889 0.89936162048393 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.76730504618274 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.76730504618274 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.76730504618274 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.76730504618274 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.76730504618274 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.76730504618274 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.76730504618274 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.76730504618274 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.76730504618274 32.065 > 2 19 S 0.00000000000000 0.00000000000000 0.23269495381726 32.065 > 1 20 S 0.33333333333333 0.00000000000000 0.23269495381726 32.065 > 1 21 S 0.66666666666667 0.00000000000000 0.23269495381726 32.065 > 1 22 S 0.00000000000000 0.33333333333333 0.23269495381726 32.065 > 1 23 S 0.33333333333333 0.33333333333333 0.23269495381726 32.065 > 1 24 S 0.66666666666667 0.33333333333333 0.23269495381726 32.065 > 1 25 S 0.00000000000000 0.66666666666667 0.23269495381726 32.065 > 1 26 S 0.33333333333333 0.66666666666667 0.23269495381726 32.065 > 1 27 S 0.66666666666667 0.66666666666667 0.23269495381726 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.10063837951607 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.10063837951607 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.10063837951607 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.10063837951607 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.10063837951607 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.10063837951607 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.10063837951607 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.10063837951607 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.10063837951607 32.065 > 2 37 S 0.22222222222222 0.11111111111111 0.56602828715060 32.065 > 1 38 S 0.55555555555556 0.11111111111111 0.56602828715060 32.065 > 1 39 S 0.88888888888889 0.11111111111111 0.56602828715060 32.065 > 1 40 S 0.22222222222222 0.44444444444444 0.56602828715060 32.065 > 1 41 S 0.55555555555556 0.44444444444444 0.56602828715060 32.065 > 1 42 S 0.88888888888889 0.44444444444444 0.56602828715060 32.065 > 1 43 S 0.22222222222222 0.77777777777778 0.56602828715060 32.065 > 1 44 S 0.55555555555556 0.77777777777778 0.56602828715060 32.065 > 1 45 S 0.88888888888889 0.77777777777778 0.56602828715060 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.43397171284940 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.43397171284940 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.43397171284940 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.43397171284940 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.43397171284940 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.43397171284940 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.43397171284940 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.43397171284940 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.43397171284940 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 4 83 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 4 84 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 4 85 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 4 86 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 4 87 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 4 88 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 4 89 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 4 90 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 4 91 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 4 92 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 4 93 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 4 94 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 4 95 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 4 96 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 4 97 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 4 98 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 4 99 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 4 100 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 101 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 4 102 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 4 103 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 4 104 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 4 105 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 4 106 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 4 107 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 4 108 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6616076 0.0000000 0.0000000 0.0000000 5.6616076 0.0000000 0.0000000 0.0000000 4.2382586-------------------------- Born effective charges -------------------------- 1 S -2.8421637 -0.0000000 0.0000000 0.0000000 -2.8421637 0.0000000 0.0000000 0.0000000 -1.9101595 2 S -2.8421637 -0.0000000 0.0000000 0.0000000 -2.8421637 0.0000000 0.0000000 0.0000000 -1.9101595 3 Rb 1.0544477 0.0000000 0.0000000 0.0000000 1.0544477 0.0000000 0.0000000 0.0000000 1.8585409 4 Nd 4.6298797 0.0000000 0.0000000 0.0000000 4.6298797 0.0000000 0.0000000 0.0000000 1.9617781----------------------------------------------------------------------------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): 0.006Solver_block: 80 / 80 - Time: 0.171Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.183--------------------------------- 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:18:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.084801856366786 1.203660912980393 7.605841863333324 b -2.084801856366782 1.203660912980393 7.605841863333324 c 0.000000000000001 -2.407321825960790 7.605841863333324Atomic positions (fractional): 1 S 0.23269495381726 0.23269495381727 0.23269495381726 32.065 2 S 0.76730504618274 0.76730504618274 0.76730504618274 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 12.508811138200706 0.000000000000000 0.000000000000000 b -6.254405569100349 10.832948216823549 0.000000000000000 c 0.000000000000000 0.000000000000000 22.817525589999995Atomic positions (fractional): 1 S 0.11111111111111 0.22222222222222 0.89936162048393 32.065 > 1 2 S 0.44444444444444 0.22222222222222 0.89936162048393 32.065 > 1 3 S 0.77777777777778 0.22222222222222 0.89936162048393 32.065 > 1 4 S 0.11111111111111 0.55555555555556 0.89936162048393 32.065 > 1 5 S 0.44444444444444 0.55555555555556 0.89936162048393 32.065 > 1 6 S 0.77777777777778 0.55555555555556 0.89936162048393 32.065 > 1 7 S 0.11111111111111 0.88888888888889 0.89936162048393 32.065 > 1 8 S 0.44444444444444 0.88888888888889 0.89936162048393 32.065 > 1 9 S 0.77777777777778 0.88888888888889 0.89936162048393 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.76730504618274 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.76730504618274 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.76730504618274 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.76730504618274 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.76730504618274 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.76730504618274 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.76730504618274 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.76730504618274 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.76730504618274 32.065 > 10 19 S 0.00000000000000 0.00000000000000 0.23269495381726 32.065 > 1 20 S 0.33333333333333 0.00000000000000 0.23269495381726 32.065 > 1 21 S 0.66666666666667 0.00000000000000 0.23269495381726 32.065 > 1 22 S 0.00000000000000 0.33333333333333 0.23269495381726 32.065 > 1 23 S 0.33333333333333 0.33333333333333 0.23269495381726 32.065 > 1 24 S 0.66666666666667 0.33333333333333 0.23269495381726 32.065 > 1 25 S 0.00000000000000 0.66666666666667 0.23269495381726 32.065 > 1 26 S 0.33333333333333 0.66666666666667 0.23269495381726 32.065 > 1 27 S 0.66666666666667 0.66666666666667 0.23269495381726 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.10063837951607 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.10063837951607 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.10063837951607 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.10063837951607 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.10063837951607 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.10063837951607 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.10063837951607 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.10063837951607 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.10063837951607 32.065 > 10 37 S 0.22222222222222 0.11111111111111 0.56602828715060 32.065 > 1 38 S 0.55555555555556 0.11111111111111 0.56602828715060 32.065 > 1 39 S 0.88888888888889 0.11111111111111 0.56602828715060 32.065 > 1 40 S 0.22222222222222 0.44444444444444 0.56602828715060 32.065 > 1 41 S 0.55555555555556 0.44444444444444 0.56602828715060 32.065 > 1 42 S 0.88888888888889 0.44444444444444 0.56602828715060 32.065 > 1 43 S 0.22222222222222 0.77777777777778 0.56602828715060 32.065 > 1 44 S 0.55555555555556 0.77777777777778 0.56602828715060 32.065 > 1 45 S 0.88888888888889 0.77777777777778 0.56602828715060 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.43397171284940 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.43397171284940 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.43397171284940 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.43397171284940 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.43397171284940 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.43397171284940 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.43397171284940 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.43397171284940 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.43397171284940 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 83 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 84 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 85 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 86 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 87 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 88 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 89 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 90 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82 91 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 92 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 93 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 94 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 95 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 96 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 97 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 98 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 99 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 100 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 101 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 102 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 103 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 104 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 105 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 106 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 107 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 108 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6616076 0.0000000 0.0000000 0.0000000 5.6616076 0.0000000 0.0000000 0.0000000 4.2382586-------------------------- Born effective charges -------------------------- 1 S -2.8421637 -0.0000000 0.0000000 0.0000000 -2.8421637 0.0000000 0.0000000 0.0000000 -1.9101595 2 S -2.8421637 -0.0000000 0.0000000 0.0000000 -2.8421637 0.0000000 0.0000000 0.0000000 -1.9101595 3 Rb 1.0544477 0.0000000 0.0000000 0.0000000 1.0544477 0.0000000 0.0000000 0.0000000 1.8585409 4 Nd 4.6298797 0.0000000 0.0000000 0.0000000 4.6298797 0.0000000 0.0000000 0.0000000 1.9617781----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:18:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:29]-------------------------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 2.084801856366786 1.203660912980393 7.605841863333324 b -2.084801856366782 1.203660912980393 7.605841863333324 c 0.000000000000001 -2.407321825960790 7.605841863333324Atomic positions (fractional): 1 S 0.23269495381726 0.23269495381727 0.23269495381726 32.065 2 S 0.76730504618274 0.76730504618274 0.76730504618274 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 12.508811138200706 0.000000000000000 0.000000000000000 b -6.254405569100349 10.832948216823549 0.000000000000000 c 0.000000000000000 0.000000000000000 22.817525589999995Atomic positions (fractional): 1 S 0.11111111111111 0.22222222222222 0.89936162048393 32.065 > 1 2 S 0.44444444444444 0.22222222222222 0.89936162048393 32.065 > 1 3 S 0.77777777777778 0.22222222222222 0.89936162048393 32.065 > 1 4 S 0.11111111111111 0.55555555555556 0.89936162048393 32.065 > 1 5 S 0.44444444444444 0.55555555555556 0.89936162048393 32.065 > 1 6 S 0.77777777777778 0.55555555555556 0.89936162048393 32.065 > 1 7 S 0.11111111111111 0.88888888888889 0.89936162048393 32.065 > 1 8 S 0.44444444444444 0.88888888888889 0.89936162048393 32.065 > 1 9 S 0.77777777777778 0.88888888888889 0.89936162048393 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.76730504618274 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.76730504618274 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.76730504618274 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.76730504618274 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.76730504618274 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.76730504618274 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.76730504618274 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.76730504618274 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.76730504618274 32.065 > 10 19 S 0.00000000000000 0.00000000000000 0.23269495381726 32.065 > 1 20 S 0.33333333333333 0.00000000000000 0.23269495381726 32.065 > 1 21 S 0.66666666666667 0.00000000000000 0.23269495381726 32.065 > 1 22 S 0.00000000000000 0.33333333333333 0.23269495381726 32.065 > 1 23 S 0.33333333333333 0.33333333333333 0.23269495381726 32.065 > 1 24 S 0.66666666666667 0.33333333333333 0.23269495381726 32.065 > 1 25 S 0.00000000000000 0.66666666666667 0.23269495381726 32.065 > 1 26 S 0.33333333333333 0.66666666666667 0.23269495381726 32.065 > 1 27 S 0.66666666666667 0.66666666666667 0.23269495381726 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.10063837951607 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.10063837951607 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.10063837951607 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.10063837951607 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.10063837951607 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.10063837951607 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.10063837951607 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.10063837951607 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.10063837951607 32.065 > 10 37 S 0.22222222222222 0.11111111111111 0.56602828715060 32.065 > 1 38 S 0.55555555555556 0.11111111111111 0.56602828715060 32.065 > 1 39 S 0.88888888888889 0.11111111111111 0.56602828715060 32.065 > 1 40 S 0.22222222222222 0.44444444444444 0.56602828715060 32.065 > 1 41 S 0.55555555555556 0.44444444444444 0.56602828715060 32.065 > 1 42 S 0.88888888888889 0.44444444444444 0.56602828715060 32.065 > 1 43 S 0.22222222222222 0.77777777777778 0.56602828715060 32.065 > 1 44 S 0.55555555555556 0.77777777777778 0.56602828715060 32.065 > 1 45 S 0.88888888888889 0.77777777777778 0.56602828715060 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.43397171284940 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.43397171284940 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.43397171284940 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.43397171284940 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.43397171284940 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.43397171284940 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.43397171284940 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.43397171284940 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.43397171284940 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 83 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 84 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 85 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 86 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 87 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 88 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 89 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 90 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82 91 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 92 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 93 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 94 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 95 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 96 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 97 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 98 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 99 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 100 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 101 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 102 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 103 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 104 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 105 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 106 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 107 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 108 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6616076 0.0000000 0.0000000 0.0000000 5.6616076 0.0000000 0.0000000 0.0000000 4.2382586-------------------------- Born effective charges -------------------------- 1 S -2.8421637 -0.0000000 0.0000000 0.0000000 -2.8421637 0.0000000 0.0000000 0.0000000 -1.9101595 2 S -2.8421637 -0.0000000 0.0000000 0.0000000 -2.8421637 0.0000000 0.0000000 0.0000000 -1.9101595 3 Rb 1.0544477 0.0000000 0.0000000 0.0000000 1.0544477 0.0000000 0.0000000 0.0000000 1.8585409 4 Nd 4.6298797 0.0000000 0.0000000 0.0000000 4.6298797 0.0000000 0.0000000 0.0000000 1.9617781----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.86, Number of G-points: 313, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-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 2.121 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.428 ( 19.440 11.224 -4.651) 22.924 0.461 ( 20.445 11.804 -3.803) 23.912 0.902 ( 36.837 21.268 13.258) 44.554 2.130 ( 0.628 0.363 0.638) 0.966 2.176 ( 4.991 2.881 -2.246) 6.185 3.472 ( -2.073 -1.197 0.878) 2.550 4.964 ( 2.418 1.396 0.507) 2.838 6.148 ( -2.935 -1.695 0.187) 3.394 6.157 ( -2.041 -1.179 -0.175) 2.364 6.644 ( 2.592 1.496 -13.745) 14.067 7.571 ( -5.842 -3.373 1.639) 6.941 8.333 ( -0.883 -0.510 -4.522) 4.636======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( 19.209 11.090 -4.689) 22.671 0.903 ( 19.392 11.196 -5.542) 23.068 1.734 ( 31.075 17.941 12.404) 37.966 2.154 ( 1.247 0.720 1.325) 1.957 2.336 ( 10.542 6.087 -5.214) 13.243 3.407 ( -3.524 -2.035 -0.094) 4.070 5.047 ( 4.594 2.652 0.818) 5.367 6.052 ( -5.284 -3.051 0.033) 6.101 6.095 ( -3.032 -1.751 -0.311) 3.515 6.665 ( 1.654 0.955 -4.943) 5.299 7.404 ( -9.067 -5.235 3.099) 10.919 8.266 ( -3.739 -2.158 -5.992) 7.385======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 17.655 10.193 -4.865) 20.958 1.305 ( 17.460 10.080 -7.693) 21.579 2.196 ( 1.988 1.148 2.108) 3.117 2.268 ( 11.979 6.916 6.271) 15.188 2.710 ( 23.324 13.466 -4.825) 27.362 3.325 ( -3.398 -1.962 3.630) 5.345 5.171 ( 5.790 3.343 0.858) 6.740 5.923 ( -5.528 -3.192 -0.410) 6.396 6.030 ( -2.240 -1.293 -0.374) 2.614 6.674 ( -0.532 -0.307 -0.678) 0.915 7.190 ( -10.352 -5.977 3.684) 12.509 8.131 ( -5.708 -3.296 -7.943) 10.322======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 13.816 7.977 -4.992) 16.716 1.649 ( 14.974 8.645 -9.373) 19.668 2.262 ( 3.197 1.846 2.819) 4.646 2.459 ( 5.742 3.315 1.388) 6.774 3.047 ( 1.383 0.798 -4.087) 4.388 3.431 ( 14.629 8.446 8.356) 18.845 5.301 ( 4.977 2.874 0.668) 5.786 5.820 ( -2.874 -1.659 -0.925) 3.446 6.005 ( 0.353 0.204 -0.327) 0.522 6.623 ( -4.096 -2.365 1.373) 4.925 6.956 ( -10.922 -6.306 1.952) 12.762 7.983 ( -4.571 -2.639 -7.397) 9.088======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 8.025 4.633 -4.167) 10.161 1.933 ( 12.548 7.245 -9.620) 17.392 2.360 ( 4.514 2.606 2.630) 5.838 2.570 ( 3.889 2.245 0.337) 4.503 2.949 ( -7.170 -4.140 3.942) 9.170 3.798 ( 12.857 7.423 2.676) 15.085 5.390 ( 2.667 1.540 0.364) 3.101 5.799 ( 1.432 0.827 -1.373) 2.149 6.044 ( 2.883 1.664 -0.180) 3.334 6.497 ( -7.629 -4.405 3.507) 9.481 6.717 ( -9.120 -5.265 -2.677) 10.866 7.892 ( -1.781 -1.028 -4.136) 4.619======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 3.174 1.833 -2.155) 4.252 2.163 ( 9.773 5.643 -7.669) 13.644 2.464 ( 3.473 2.005 1.350) 4.231 2.632 ( 0.951 0.549 -0.786) 1.350 2.794 ( -6.716 -3.877 6.976) 10.431 4.009 ( 5.493 3.171 0.343) 6.352 5.430 ( 0.935 0.540 0.129) 1.088 5.867 ( 4.540 2.621 -1.622) 5.487 6.113 ( 2.628 1.517 -0.058) 3.035 6.301 ( -9.571 -5.526 3.214) 11.510 6.563 ( -3.482 -2.010 -3.245) 5.166 7.864 ( -0.243 -0.140 -1.339) 1.368======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 0.000 0.000 0.000) 0.000 2.285 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.609 ( -0.000 -0.000 0.000) 0.000 2.738 ( 0.000 0.000 -0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.162 ( -0.000 -0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 -0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 0.000 21.731 13.967) 25.833 0.539 ( 0.000 24.074 9.303) 25.809 0.856 ( -0.000 40.578 5.678) 40.973 2.114 ( -0.000 0.093 -2.761) 2.762 2.186 ( -0.000 6.460 -0.213) 6.464 3.473 ( 0.000 -3.488 1.119) 3.663 4.959 ( -0.000 2.597 -0.424) 2.632 6.145 ( 0.000 -3.477 -0.479) 3.509 6.158 ( 0.000 -2.280 0.196) 2.288 6.575 ( -0.000 8.627 -26.343) 27.719 7.577 ( 0.000 -6.859 2.588) 7.331 8.325 ( -0.000 0.524 -5.649) 5.673======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 3.661 19.264 10.108) 22.061 0.925 ( 7.489 25.407 -1.337) 26.521 1.510 ( 23.951 29.149 11.001) 39.298 2.129 ( 2.423 0.302 -2.701) 3.641 2.286 ( 3.041 9.648 -2.248) 10.363 3.420 ( -1.614 -3.774 -1.479) 4.363 5.017 ( 2.879 3.826 0.112) 4.789 6.084 ( -2.417 -4.798 -0.404) 5.387 6.113 ( -1.929 -2.781 0.055) 3.385 6.610 ( 3.028 3.146 -12.754) 13.481 7.465 ( -4.688 -8.798 3.690) 10.630 8.284 ( -2.695 -1.387 -5.446) 6.233======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 11.949 14.598 3.312) 19.154 1.287 ( 8.063 22.445 -4.756) 24.319 2.140 ( 15.682 12.640 8.995) 22.059 2.182 ( 3.417 2.058 -0.869) 4.083 2.522 ( 13.730 17.884 -4.911) 23.075 3.346 ( -1.787 -4.011 0.157) 4.394 5.128 ( 4.602 5.196 0.644) 6.971 5.972 ( -4.485 -4.757 -0.534) 6.560 6.051 ( -2.100 -2.116 -0.163) 2.986 6.646 ( 2.278 0.007 -5.323) 5.790 7.282 ( -7.335 -9.284 4.528) 12.669 8.169 ( -5.535 -3.266 -7.135) 9.603======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 13.322 10.686 -1.454) 17.140 1.609 ( 7.798 18.303 -6.263) 20.857 2.258 ( 2.588 4.433 0.864) 5.206 2.389 ( 6.487 3.413 1.778) 7.543 2.966 ( 11.688 11.980 -5.810) 17.716 3.344 ( 6.143 2.658 7.679) 10.186 5.270 ( 4.581 6.217 0.856) 7.770 5.853 ( -3.887 -3.313 -0.921) 5.189 6.010 ( -0.917 -0.270 -0.327) 1.011 6.640 ( -0.498 -2.373 -1.852) 3.052 7.064 ( -9.095 -9.151 4.120) 13.544 8.007 ( -5.495 -4.022 -7.764) 10.327======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 11.599 7.200 -4.056) 14.242 1.868 ( 6.280 13.664 -6.888) 16.541 2.362 ( 2.364 6.847 2.130) 7.550 2.513 ( 5.098 1.714 0.110) 5.380 3.017 ( -3.488 -2.212 0.038) 4.131 3.667 ( 13.826 10.384 4.711) 17.921 5.397 ( 2.185 6.528 0.756) 6.925 5.786 ( -0.603 -1.033 -1.367) 1.816 6.020 ( 1.518 1.618 -0.320) 2.242 6.571 ( -3.801 -3.171 0.252) 4.957 6.813 ( -10.509 -8.700 0.675) 13.660 7.881 ( -1.958 -3.593 -5.304) 6.699======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 6.807 4.661 -3.321) 8.893 2.063 ( 6.496 9.350 -7.353) 13.553 2.475 ( 1.424 6.870 2.408) 7.418 2.598 ( 3.230 0.671 -0.596) 3.353 2.907 ( -6.701 -2.014 4.430) 8.281 3.943 ( 7.622 5.647 1.577) 9.616 5.473 ( -0.954 6.610 0.443) 6.693 5.806 ( 3.439 0.640 -1.713) 3.895 6.080 ( 2.848 1.959 -0.068) 3.457 6.442 ( -9.479 -3.296 3.747) 10.713 6.581 ( -4.946 -5.746 -4.390) 8.760 7.833 ( 1.091 -3.105 -2.064) 3.885======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( 1.216 2.979 -1.413) 3.514 2.235 ( 6.453 5.374 -5.671) 10.134 2.532 ( -1.542 1.952 2.364) 3.432 2.622 ( 0.083 -0.246 -0.659) 0.708 2.810 ( -5.994 3.290 2.856) 7.410 4.061 ( 2.107 1.622 0.904) 2.808 5.504 ( -3.034 6.555 0.172) 7.225 5.885 ( 4.930 -0.109 -1.371) 5.119 6.141 ( 2.073 1.753 0.284) 2.730 6.241 ( -8.949 -2.438 1.167) 9.349 6.508 ( 0.133 -1.618 -1.354) 2.114 7.828 ( 1.940 -3.010 -0.347) 3.598======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -2.187 0.875 0.455) 2.399 2.277 ( -4.616 -1.592 2.941) 5.700 2.514 ( -1.252 0.785 -1.409) 2.042 2.626 ( 0.614 0.139 0.200) 0.660 2.779 ( -2.917 6.580 -3.620) 8.056 4.062 ( -2.799 -1.067 1.108) 3.194 5.503 ( -4.239 5.801 -0.011) 7.185 5.897 ( -1.623 -4.018 1.015) 4.451 6.138 ( -2.485 -0.948 -0.305) 2.677 6.228 ( 5.242 6.192 -1.536) 8.257 6.523 ( 2.677 -0.348 1.685) 3.183 7.833 ( 2.095 -2.952 0.677) 3.683======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( -6.194 -3.289 2.973) 7.618 2.131 ( -10.438 -1.908 6.983) 12.702 2.452 ( -6.452 1.545 -2.551) 7.107 2.602 ( -2.691 -2.490 0.198) 3.672 2.858 ( 5.752 6.278 -6.001) 10.417 3.935 ( -9.926 -4.046 0.002) 10.719 5.470 ( -5.328 3.920 -0.225) 6.618 5.821 ( -2.366 -2.613 1.531) 3.843 6.081 ( -3.016 -1.364 0.074) 3.310 6.407 ( 7.445 6.620 -3.891) 10.696 6.617 ( 7.359 1.282 3.358) 8.190 7.855 ( 3.218 -2.074 2.548) 4.599======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( -11.499 -7.790 5.198) 14.830 1.936 ( -14.574 0.289 7.176) 16.248 2.337 ( -6.929 1.682 -3.180) 7.808 2.508 ( -4.392 -3.489 -0.777) 5.663 3.011 ( 6.663 3.741 -1.506) 7.788 3.628 ( -18.509 -7.345 -3.216) 20.172 5.391 ( -6.813 1.170 -0.487) 6.929 5.798 ( 0.973 0.005 1.171) 1.523 6.023 ( -2.135 -0.412 0.243) 2.188 6.556 ( 5.567 3.149 -2.794) 6.980 6.812 ( 10.985 3.272 0.342) 11.467 7.931 ( 5.585 0.063 5.098) 7.562======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( -16.200 -9.268 4.759) 19.261 1.671 ( -19.546 1.102 6.678) 20.685 2.242 ( -4.754 1.151 -2.683) 5.579 2.368 ( -7.727 -4.252 -2.376) 9.133 3.029 ( -18.535 -4.458 7.281) 20.407 3.265 ( -1.623 -2.245 -9.168) 9.577 5.263 ( -7.704 -0.863 -0.635) 7.779 5.860 ( 4.602 1.681 0.601) 4.936 6.013 ( 0.690 0.613 0.276) 0.963 6.643 ( 3.118 0.608 -1.423) 3.481 7.036 ( 11.554 3.031 -1.810) 12.082 8.071 ( 7.112 1.814 5.750) 9.324======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( -19.192 -7.828 2.895) 20.928 1.336 ( -23.411 1.886 5.125) 24.039 2.068 ( -22.708 -6.283 -5.606) 24.218 2.180 ( -3.035 0.171 -1.305) 3.308 2.561 ( -21.339 -4.313 2.962) 21.971 3.339 ( 5.875 0.774 -1.104) 6.028 5.123 ( -6.807 -1.093 -0.500) 6.913 5.975 ( 6.222 1.569 0.104) 6.418 6.053 ( 2.888 0.587 0.192) 2.954 6.672 ( 0.752 -0.336 0.183) 0.844 7.253 ( 11.362 2.028 -1.490) 11.638 8.220 ( 5.910 1.489 3.545) 7.050======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( -20.106 0.000 0.000) 20.106 0.935 ( -25.947 0.000 0.000) 25.947 1.455 ( -38.912 0.000 0.000) 38.912 2.142 ( -1.447 0.000 0.000) 1.447 2.296 ( -10.082 0.000 0.000) 10.082 3.427 ( 3.869 -0.000 -0.000) 3.869 5.016 ( -4.730 0.000 0.000) 4.730 6.086 ( 5.334 -0.000 -0.000) 5.334 6.112 ( 3.368 -0.000 -0.000) 3.368 6.673 ( -0.420 0.000 0.000) 0.420 7.446 ( 9.836 -0.000 -0.000) 9.836 8.311 ( 3.168 -0.000 -0.000) 3.168======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 0.000 21.144 12.478) 24.552 1.061 ( 0.000 23.018 7.750) 24.288 1.647 ( -0.000 34.589 5.561) 35.033 2.091 ( -0.000 0.227 -5.300) 5.305 2.373 ( -0.000 13.285 -1.447) 13.364 3.381 ( -0.000 -5.247 -2.744) 5.922 5.033 ( -0.000 5.192 -0.510) 5.217 6.045 ( 0.000 -5.911 -0.727) 5.955 6.101 ( 0.000 -3.438 0.253) 3.447 6.575 ( -0.000 3.437 -12.840) 13.292 7.416 ( 0.000 -11.077 3.780) 11.704 8.281 ( -0.000 -1.903 -4.264) 4.669======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( -2.786 20.976 11.759) 24.208 1.394 ( 5.365 21.672 0.966) 22.347 2.083 ( 11.054 19.922 7.162) 23.882 2.114 ( 4.138 0.975 -5.519) 6.967 2.556 ( 4.489 20.843 -3.684) 21.637 3.312 ( -0.380 -5.741 -1.658) 5.988 5.118 ( 3.212 6.352 0.035) 7.118 5.969 ( -1.723 -5.944 -0.648) 6.222 6.056 ( -1.196 -2.766 0.123) 3.016 6.583 ( 2.099 0.429 -8.514) 8.779 7.283 ( -3.402 -11.727 4.015) 12.854 8.206 ( -4.218 -3.213 -4.753) 7.121======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( 2.255 17.482 6.970) 18.955 1.676 ( 4.742 18.910 -3.115) 19.743 2.217 ( 6.765 3.570 -3.570) 8.441 2.347 ( 4.427 6.110 3.438) 8.292 2.909 ( 9.476 18.421 -6.795) 21.801 3.292 ( 4.126 0.385 5.414) 6.817 5.261 ( 4.884 7.667 0.882) 9.133 5.871 ( -2.974 -4.509 -0.916) 5.478 6.020 ( -0.712 -0.788 -0.224) 1.085 6.588 ( 1.888 -2.690 -5.055) 6.029 7.102 ( -5.635 -11.357 4.183) 13.351 8.053 ( -6.882 -4.233 -5.782) 9.936======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 4.945 12.648 1.592) 13.673 1.907 ( 3.910 14.688 -4.456) 15.839 2.382 ( 6.351 7.466 -0.916) 9.845 2.453 ( 2.896 3.004 1.517) 4.439 3.023 ( 0.175 -1.128 -3.597) 3.774 3.571 ( 12.397 13.468 5.275) 19.050 5.426 ( 3.967 8.572 1.477) 9.560 5.789 ( -1.928 -2.149 -1.422) 3.218 6.020 ( 0.515 1.655 -0.721) 1.877 6.557 ( 0.222 -4.238 -3.360) 5.413 6.891 ( -8.090 -10.360 3.333) 13.560 7.881 ( -5.181 -4.555 -5.177) 8.625======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 5.867 9.348 -1.069) 11.088 2.068 ( 2.636 9.833 -4.998) 11.341 2.531 ( 3.067 1.526 1.569) 3.768 2.546 ( 2.815 7.677 0.825) 8.218 2.988 ( -2.107 0.329 0.943) 2.331 3.875 ( 8.368 8.101 1.807) 11.786 5.560 ( 0.966 8.687 1.481) 8.865 5.764 ( 0.926 0.101 -1.822) 2.047 6.062 ( 1.773 2.731 -0.930) 3.386 6.506 ( -0.530 -3.003 -1.903) 3.594 6.640 ( -10.668 -8.522 0.983) 13.689 7.774 ( -0.455 -4.694 -2.693) 5.431======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( 2.926 7.019 -1.242) 7.705 2.183 ( 3.963 6.531 -5.101) 9.185 2.591 ( 2.284 -0.068 1.346) 2.652 2.596 ( -2.303 0.240 2.356) 3.303 2.985 ( -4.728 9.810 1.014) 10.937 4.030 ( 3.924 2.184 0.791) 4.560 5.639 ( -2.292 8.812 0.918) 9.152 5.804 ( 3.552 0.537 -1.647) 3.952 6.118 ( 2.399 1.787 -0.575) 3.046 6.384 ( -10.763 -4.768 0.565) 11.786 6.483 ( 0.538 -0.925 -1.353) 1.725 7.743 ( 2.570 -4.981 -0.737) 5.653======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( -1.876 4.459 -0.419) 4.856 2.291 ( 2.940 2.917 -3.103) 5.175 2.530 ( -2.744 -2.403 1.962) 4.142 2.612 ( 0.802 -1.489 0.330) 1.723 2.990 ( -8.890 13.444 -1.186) 16.161 4.078 ( 0.703 -0.867 1.485) 1.858 5.662 ( -5.043 8.083 0.281) 9.531 5.855 ( 2.305 -1.918 -0.257) 3.010 6.184 ( 1.756 -0.380 -0.582) 1.888 6.214 ( -3.616 2.588 -0.061) 4.447 6.491 ( 0.869 0.041 0.330) 0.930 7.745 ( 3.373 -5.117 0.171) 6.132======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( -5.929 0.611 0.907) 6.029 2.270 ( -5.287 -0.805 3.353) 6.312 2.510 ( 0.050 0.103 -3.743) 3.744 2.606 ( 0.406 -1.539 0.732) 1.752 2.943 ( -8.551 10.579 -3.232) 13.982 4.039 ( -4.761 -2.121 1.572) 5.444 5.628 ( -6.709 5.546 -0.136) 8.705 5.832 ( -1.481 -2.727 1.150) 3.309 6.128 ( -3.161 0.409 0.467) 3.221 6.343 ( 6.750 6.444 -3.168) 9.855 6.525 ( 3.922 -0.898 2.405) 4.688 7.762 ( 4.259 -4.335 1.166) 6.188======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( -10.017 -3.099 2.468) 10.772 2.162 ( -8.941 0.780 4.252) 9.931 2.466 ( -4.214 1.277 -3.902) 5.884 2.557 ( -5.416 -1.851 1.075) 5.823 2.948 ( 2.098 5.154 -3.198) 6.418 3.858 ( -13.942 -3.364 0.147) 14.343 5.542 ( -8.001 2.703 -0.303) 8.451 5.794 ( -0.670 -0.948 1.111) 1.607 6.075 ( -3.752 0.693 0.446) 3.842 6.488 ( 5.072 3.596 -3.323) 7.050 6.652 ( 10.015 0.591 1.865) 10.204 7.826 ( 6.520 -2.108 2.485) 7.289======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( -14.410 -3.237 2.207) 14.933 1.987 ( -14.066 0.871 3.023) 14.413 2.369 ( -8.203 2.892 -2.526) 9.057 2.434 ( -5.010 -3.410 0.390) 6.073 3.068 ( 7.294 2.014 0.152) 7.569 3.494 ( -23.670 -3.685 -1.791) 24.022 5.408 ( -9.186 0.579 -0.275) 9.208 5.808 ( 2.518 0.259 0.526) 2.585 6.029 ( -2.045 0.500 0.192) 2.114 6.581 ( 4.209 0.787 -1.242) 4.458 6.853 ( 11.547 1.001 -0.276) 11.594 7.957 ( 8.549 0.016 2.437) 8.890======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -18.526 0.000 0.000) 18.526 1.715 ( -18.827 0.000 0.000) 18.827 2.254 ( -5.814 0.000 0.000) 5.814 2.302 ( -9.577 0.000 0.000) 9.577 2.998 ( -29.344 0.000 0.000) 29.344 3.219 ( 7.984 -0.000 -0.000) 7.984 5.252 ( -8.761 0.000 0.000) 8.761 5.881 ( 5.285 -0.000 -0.000) 5.285 6.022 ( 0.837 -0.000 -0.000) 0.837 6.641 ( 2.651 -0.000 -0.000) 2.651 7.059 ( 11.891 -0.000 -0.000) 11.891 8.110 ( 8.179 -0.000 -0.000) 8.179======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 0.000 19.108 10.596) 21.849 1.532 ( -0.000 20.123 5.022) 20.740 2.059 ( -0.000 0.727 -7.382) 7.418 2.204 ( -0.000 16.772 4.852) 17.460 2.728 ( -0.000 24.150 -6.214) 24.936 3.250 ( 0.000 -5.506 0.231) 5.510 5.154 ( -0.000 6.968 -0.168) 6.970 5.923 ( 0.000 -5.561 -0.289) 5.569 6.038 ( 0.000 -2.684 0.104) 2.686 6.538 ( -0.000 -0.774 -8.046) 8.083 7.200 ( 0.000 -12.625 3.265) 13.040 8.198 ( -0.000 -3.852 -3.568) 5.251======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( -4.081 16.815 8.491) 19.275 1.785 ( 3.242 16.996 1.222) 17.346 2.110 ( 6.708 3.157 -6.208) 9.670 2.369 ( 2.412 7.894 2.666) 8.674 2.937 ( 3.060 11.024 -10.974) 15.853 3.276 ( 3.504 8.730 7.669) 12.137 5.260 ( 3.987 7.476 0.488) 8.487 5.862 ( -1.352 -4.134 -0.356) 4.364 6.016 ( -0.095 -1.045 -0.103) 1.054 6.510 ( 1.375 -3.170 -6.100) 7.011 7.063 ( -2.435 -12.298 2.814) 12.849 8.102 ( -4.932 -4.431 -3.669) 7.578======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -1.337 12.085 3.423) 12.632 1.984 ( 2.481 13.111 -1.425) 13.419 2.297 ( 9.273 6.786 -1.957) 11.656 2.469 ( 2.148 5.392 0.759) 5.854 2.964 ( 2.127 -3.968 -5.164) 6.851 3.566 ( 7.890 18.239 5.057) 20.506 5.430 ( 5.875 8.139 1.581) 10.162 5.798 ( -1.990 -1.988 -1.058) 3.006 6.021 ( 0.819 1.310 -0.733) 1.710 6.478 ( 1.553 -5.103 -4.562) 7.019 6.898 ( -4.274 -11.173 2.589) 12.240 7.935 ( -7.383 -4.457 -3.734) 9.398======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 2.337 10.018 0.857) 10.322 2.115 ( 1.375 8.448 -3.023) 9.077 2.466 ( 4.668 2.078 0.530) 5.137 2.596 ( 3.054 8.037 2.050) 8.838 2.970 ( 4.293 -0.593 -1.324) 4.531 3.850 ( 5.817 11.478 1.686) 12.978 5.605 ( 3.891 7.445 2.380) 8.731 5.762 ( -0.488 0.832 -1.626) 1.891 6.060 ( 1.403 2.969 -1.923) 3.805 6.441 ( 1.781 -4.948 -3.514) 6.325 6.712 ( -6.539 -9.083 2.199) 11.406 7.767 ( -5.265 -4.270 -2.697) 7.296======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 3.543 9.330 0.009) 9.980 2.191 ( 1.011 5.394 -3.145) 6.325 2.540 ( 3.005 -0.019 0.807) 3.112 2.643 ( -2.184 -1.335 3.447) 4.293 3.118 ( 4.165 12.685 -0.046) 13.351 3.992 ( 2.576 2.853 -0.043) 3.844 5.711 ( 1.806 4.111 0.939) 4.587 5.793 ( 0.550 4.434 -0.238) 4.474 6.096 ( 0.950 1.020 -2.748) 3.081 6.428 ( 1.070 -2.236 -3.011) 3.900 6.524 ( -6.857 -4.138 2.478) 8.383 7.667 ( -0.622 -4.730 -1.144) 4.906======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( -0.592 8.027 -0.051) 8.049 2.255 ( 3.034 3.411 -3.098) 5.518 2.563 ( -3.716 -4.905 3.271) 6.969 2.575 ( 1.576 -1.147 0.281) 1.969 3.274 ( -4.941 17.236 -0.545) 17.938 4.027 ( 2.749 -3.223 0.504) 4.266 5.780 ( 1.669 3.407 -0.050) 3.794 5.825 ( -1.863 2.977 0.292) 3.524 6.108 ( 3.156 -2.729 -1.708) 4.509 6.343 ( -6.575 2.274 0.021) 6.958 6.491 ( 0.449 1.029 0.109) 1.128 7.635 ( 2.622 -5.359 -0.204) 5.969======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( -6.102 4.265 0.208) 7.448 2.313 ( 0.516 0.744 -0.779) 1.194 2.485 ( -0.282 -2.681 0.008) 2.696 2.580 ( 0.781 -1.346 0.236) 1.574 3.257 ( -13.496 12.595 -1.515) 18.523 4.044 ( 2.097 -3.187 1.492) 4.096 5.776 ( -5.587 2.206 -0.018) 6.007 5.826 ( 0.563 -0.161 0.126) 0.599 6.150 ( 3.357 -1.421 0.581) 3.691 6.324 ( -0.462 7.109 -0.970) 7.189 6.494 ( -0.283 -0.581 0.280) 0.705 7.643 ( 4.240 -4.656 0.323) 6.305======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( -9.571 -0.011 0.546) 9.587 2.287 ( -3.952 0.434 1.725) 4.334 2.475 ( 0.331 -0.920 -2.301) 2.500 2.593 ( 1.003 -0.264 0.324) 1.087 3.097 ( -12.963 5.118 -1.300) 13.997 4.007 ( -5.268 -1.405 0.820) 5.513 5.686 ( -6.340 0.753 -0.124) 6.385 5.811 ( -1.670 -0.219 0.431) 1.738 6.157 ( -3.123 1.289 0.878) 3.491 6.433 ( 4.515 4.431 -3.423) 7.193 6.510 ( 5.574 -2.118 2.389) 6.424 7.697 ( 6.078 -2.239 0.683) 6.513======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -11.426 0.000 0.000) 11.426 2.188 ( -8.508 0.000 0.000) 8.508 2.459 ( -1.386 0.000 0.000) 1.386 2.546 ( -7.610 0.000 0.000) 7.610 2.994 ( 0.170 -0.000 -0.000) 0.170 3.822 ( -15.642 0.000 0.000) 15.642 5.566 ( -8.329 0.000 0.000) 8.329 5.790 ( -0.250 0.000 0.000) 0.250 6.091 ( -4.502 0.000 0.000) 4.502 6.511 ( 4.104 -0.000 -0.000) 4.104 6.664 ( 10.815 -0.000 -0.000) 10.815 7.812 ( 8.148 -0.000 -0.000) 8.148======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 0.000 9.732 6.673) 11.800 1.899 ( -0.000 14.524 0.268) 14.527 2.060 ( -0.000 7.053 -6.481) 9.578 2.426 ( -0.000 5.717 0.537) 5.743 2.915 ( -0.000 -2.704 -8.314) 8.743 3.426 ( 0.000 21.115 7.182) 22.303 5.291 ( -0.000 6.364 0.301) 6.371 5.840 ( 0.000 -2.466 0.062) 2.467 6.010 ( -0.000 0.160 -0.125) 0.203 6.444 ( -0.000 -4.331 -5.145) 6.725 6.969 ( 0.000 -11.912 1.507) 12.007 8.092 ( -0.000 -4.681 -2.745) 5.427======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( -2.727 5.152 -1.137) 5.939 2.052 ( 2.425 8.565 -1.532) 9.033 2.231 ( 7.411 11.949 -0.229) 14.062 2.479 ( 1.668 3.547 -1.705) 4.274 2.863 ( 1.372 -6.203 -1.811) 6.606 3.687 ( 2.851 20.588 4.612) 21.290 5.400 ( 5.510 5.731 0.822) 7.993 5.812 ( -1.408 -0.552 -0.533) 1.603 6.023 ( 0.436 2.028 -0.292) 2.095 6.390 ( 0.900 -5.519 -3.677) 6.693 6.844 ( -1.811 -10.615 0.754) 10.795 7.994 ( -4.971 -4.416 -2.467) 7.092======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( 1.712 5.589 -1.569) 6.052 2.146 ( 2.194 4.562 -3.173) 5.975 2.438 ( 3.253 5.571 1.888) 6.722 2.601 ( 6.650 8.188 -0.330) 10.553 2.844 ( 4.954 -4.985 0.443) 7.042 3.919 ( 2.060 14.063 2.070) 14.363 5.581 ( 7.524 5.532 1.763) 9.503 5.783 ( -1.509 1.194 -1.469) 2.421 6.062 ( 1.119 3.221 -1.169) 3.604 6.344 ( 1.691 -5.742 -2.417) 6.456 6.706 ( -3.221 -8.792 0.523) 9.378 7.837 ( -7.277 -3.486 -2.001) 8.313======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 4.647 6.613 -0.831) 8.125 2.209 ( 1.904 3.128 -2.218) 4.281 2.509 ( 1.617 1.663 1.423) 2.722 2.672 ( -2.156 -1.853 2.922) 4.076 3.056 ( 14.955 8.741 -0.253) 17.324 4.027 ( -1.576 5.855 -0.020) 6.063 5.720 ( 1.659 3.503 0.818) 3.961 5.806 ( 2.762 3.175 0.034) 4.209 6.094 ( -0.424 1.408 -3.121) 3.450 6.345 ( 4.730 -2.569 -1.052) 5.485 6.571 ( -3.954 -5.824 0.776) 7.082 7.684 ( -5.914 -2.808 -1.167) 6.650======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.189 ( 4.754 5.583 -1.636) 7.513 2.264 ( 0.760 4.215 -0.057) 4.283 2.541 ( 0.539 -1.151 1.710) 2.130 2.590 ( -3.569 -3.938 1.516) 5.527 3.404 ( 10.658 13.957 0.397) 17.565 3.985 ( -4.100 -2.920 -0.770) 5.092 5.766 ( 1.316 2.531 -0.730) 2.944 5.882 ( 1.315 2.611 2.060) 3.576 6.048 ( -1.642 -3.163 -3.091) 4.718 6.425 ( 2.066 2.684 -1.400) 3.664 6.485 ( -0.770 -1.615 1.558) 2.372 7.581 ( -2.196 -3.141 -0.434) 3.857======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( 2.872 0.980 -1.130) 3.238 2.312 ( -3.746 7.607 -0.197) 8.482 2.458 ( -1.762 -6.786 1.727) 7.220 2.564 ( 0.163 -0.254 -0.013) 0.302 3.596 ( -9.503 13.812 -0.509) 16.773 3.909 ( 6.594 -8.137 0.428) 10.482 5.805 ( 1.093 0.481 -0.267) 1.223 5.885 ( -4.571 1.816 0.274) 4.926 6.033 ( 5.791 -2.731 -0.402) 6.415 6.426 ( -2.487 3.739 0.200) 4.495 6.504 ( -0.342 0.082 -0.248) 0.430 7.549 ( 1.900 -2.629 -0.032) 3.244======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( -9.703 0.000 0.000) 9.703 2.319 ( 0.482 -0.000 -0.000) 0.482 2.448 ( 1.751 -0.000 -0.000) 1.751 2.568 ( 0.899 -0.000 -0.000) 0.899 3.394 ( -17.040 0.000 0.000) 17.040 4.005 ( 4.549 -0.000 -0.000) 4.549 5.780 ( -4.407 0.000 0.000) 4.407 5.837 ( -1.269 0.000 0.000) 1.269 6.139 ( 5.977 -0.000 -0.000) 5.977 6.432 ( -0.067 0.000 0.000) 0.067 6.460 ( -2.149 0.000 0.000) 2.149 7.593 ( 4.611 -0.000 -0.000) 4.611======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( -0.000 -0.235 -3.339) 3.347 2.069 ( -0.000 4.101 -8.243) 9.207 2.295 ( -0.000 12.441 2.062) 12.611 2.481 ( -0.000 2.054 -2.251) 3.047 2.803 ( 0.000 -4.704 3.642) 5.949 3.876 ( -0.000 18.354 3.831) 18.750 5.392 ( -0.000 3.449 0.410) 3.473 5.827 ( -0.000 1.189 -0.777) 1.421 6.046 ( -0.000 3.312 -0.140) 3.315 6.318 ( 0.000 -5.790 -1.731) 6.044 6.762 ( 0.000 -8.908 -0.556) 8.925 7.988 ( -0.000 -4.186 -1.828) 4.568======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 1.539 1.156 -3.284) 3.806 2.093 ( 4.023 -0.809 -8.041) 9.028 2.462 ( 3.165 7.789 2.132) 8.673 2.531 ( 6.116 4.694 -1.784) 7.914 2.774 ( -0.432 -3.753 5.045) 6.302 4.047 ( 0.116 13.027 2.363) 13.240 5.487 ( 7.181 2.604 0.585) 7.661 5.826 ( -1.660 2.226 -1.569) 3.189 6.084 ( 0.262 3.697 -0.181) 3.710 6.264 ( 0.637 -5.540 -0.273) 5.583 6.668 ( -1.621 -6.805 -1.009) 7.067 7.905 ( -4.514 -3.194 -1.369) 5.697======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.000 ( 5.470 3.209 -1.364) 6.487 2.145 ( 5.561 -1.276 -4.277) 7.131 2.520 ( 0.332 2.247 0.802) 2.409 2.706 ( -1.601 0.197 2.149) 2.687 2.836 ( 15.701 3.773 1.113) 16.186 4.133 ( -2.447 6.777 0.719) 7.241 5.666 ( 9.199 2.397 0.988) 9.557 5.812 ( -1.543 2.172 -1.714) 3.168 6.116 ( -0.483 2.461 -1.149) 2.758 6.239 ( 2.840 -3.973 0.603) 4.921 6.571 ( -2.521 -4.481 -0.703) 5.190 7.776 ( -6.840 -1.773 -0.824) 7.114======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( 5.813 2.539 -0.792) 6.393 2.232 ( 5.855 0.547 -0.765) 5.930 2.542 ( 0.204 0.766 0.539) 0.959 2.636 ( -4.810 -1.868 1.511) 5.377 3.206 ( 20.183 4.557 0.192) 20.692 4.094 ( -7.091 1.427 -0.232) 7.237 5.784 ( 0.064 2.845 -0.460) 2.882 5.837 ( 4.698 -0.541 0.618) 4.769 6.084 ( -3.929 -0.189 -1.433) 4.186 6.320 ( 8.503 -0.435 0.273) 8.518 6.501 ( -1.867 -1.493 -0.055) 2.391 7.643 ( -6.601 -0.925 -0.320) 6.673======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 4.185 -0.000 -0.000) 4.185 2.336 ( 5.002 -0.000 -0.000) 5.002 2.507 ( -6.591 0.000 0.000) 6.591 2.564 ( -0.536 0.000 0.000) 0.536 3.577 ( 18.877 -0.000 -0.000) 18.877 3.925 ( -12.434 0.000 0.000) 12.434 5.795 ( 0.395 -0.000 -0.000) 0.395 5.917 ( 4.934 -0.000 -0.000) 4.934 5.991 ( -5.660 0.000 0.000) 5.660 6.461 ( 6.096 -0.000 -0.000) 6.096 6.470 ( -1.345 0.000 0.000) 1.345 7.547 ( -3.273 0.000 0.000) 3.273======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( -0.000 -0.350 -2.588) 2.612 1.991 ( -0.000 -3.402 -9.370) 9.968 2.500 ( -0.000 6.779 1.442) 6.931 2.520 ( -0.000 2.092 -0.027) 2.093 2.772 ( 0.000 -1.790 4.524) 4.865 4.166 ( -0.000 9.090 1.803) 9.268 5.437 ( -0.000 1.097 0.200) 1.115 5.861 ( -0.000 2.577 -1.923) 3.215 6.117 ( -0.000 3.210 -0.015) 3.210 6.210 ( 0.000 -4.603 1.401) 4.811 6.623 ( 0.000 -4.315 -1.412) 4.540 7.911 ( -0.000 -2.497 -0.895) 2.653======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.932 ( 4.402 1.508 -0.432) 4.673 1.993 ( 6.064 -3.260 -5.124) 8.582 2.536 ( 0.016 1.192 0.201) 1.209 2.636 ( 9.397 3.513 0.167) 10.034 2.756 ( -1.661 -1.065 2.640) 3.296 4.226 ( -1.381 4.184 0.734) 4.467 5.519 ( 8.114 0.636 0.175) 8.141 5.861 ( -1.809 1.680 -1.354) 2.816 6.142 ( -0.086 1.832 -0.043) 1.835 6.182 ( 0.533 -2.742 1.082) 2.996 6.572 ( -1.711 -2.151 -0.841) 2.874 7.855 ( -4.004 -1.159 -0.429) 4.191======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 5.962 -0.000 -0.000) 5.962 2.097 ( 8.639 -0.000 -0.000) 8.639 2.543 ( 0.135 -0.000 -0.000) 0.135 2.707 ( -3.677 0.000 0.000) 3.677 2.891 ( 17.596 -0.000 -0.000) 17.596 4.201 ( -4.078 0.000 0.000) 4.078 5.693 ( 10.220 -0.000 -0.000) 10.220 5.831 ( -2.173 0.000 0.000) 2.173 6.136 ( -1.989 0.000 0.000) 1.989 6.201 ( 4.004 -0.000 -0.000) 4.004 6.525 ( -2.112 0.000 0.000) 2.112 7.756 ( -6.590 0.000 0.000) 6.590======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.228 ( 0.000 -0.000 24.148) 24.148 0.228 ( 0.000 -0.000 24.148) 24.148 0.384 ( 0.000 -0.000 40.671) 40.671 2.111 ( -0.000 0.000 -2.154) 2.154 2.111 ( -0.000 0.000 -2.154) 2.154 3.951 ( -0.000 0.000 -5.863) 5.863 4.935 ( 0.000 -0.000 0.054) 0.054 4.935 ( 0.000 -0.000 0.054) 0.054 6.182 ( 0.000 -0.000 0.037) 0.037 6.182 ( 0.000 -0.000 0.037) 0.037 7.647 ( 0.000 -0.000 1.596) 1.596 8.216 ( -0.000 0.000 -0.539) 0.539======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.444 ( 15.101 8.719 7.810) 19.106 0.508 ( 14.100 8.141 13.338) 21.048 1.069 ( 33.521 19.353 21.240) 44.151 2.126 ( 1.199 0.692 -1.492) 2.036 2.144 ( 4.215 2.433 -4.482) 6.616 3.484 ( -5.214 -3.010 1.053) 6.112 4.968 ( 2.585 1.492 0.489) 3.025 6.149 ( -2.930 -1.692 0.022) 3.384 6.155 ( -2.113 -1.220 -0.120) 2.443 6.370 ( 22.666 13.086 -38.830) 46.827 7.600 ( -5.332 -3.078 3.879) 7.277 8.265 ( 0.385 0.222 -8.072) 8.085======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( 17.604 10.163 1.307) 20.369 0.888 ( 16.248 9.381 2.826) 18.973 1.869 ( 29.537 17.053 15.964) 37.657 2.157 ( 1.853 1.070 -0.724) 2.259 2.273 ( 9.459 5.461 -7.916) 13.489 3.397 ( -2.805 -1.620 -2.132) 3.878 5.054 ( 4.671 2.697 0.735) 5.444 6.051 ( -5.390 -3.112 -0.299) 6.232 6.092 ( -3.086 -1.782 -0.248) 3.572 6.578 ( 6.850 3.955 -12.886) 15.120 7.447 ( -8.977 -5.183 5.783) 11.870 8.193 ( -4.024 -2.323 -9.010) 10.137======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 16.718 9.652 -1.367) 19.353 1.251 ( 15.422 8.904 -3.464) 18.142 2.207 ( 2.630 1.518 0.223) 3.045 2.316 ( 8.146 4.703 3.096) 9.902 2.673 ( 23.974 13.841 -2.321) 27.780 3.353 ( -0.145 -0.084 2.207) 2.213 5.179 ( 5.775 3.334 0.786) 6.714 5.918 ( -5.669 -3.273 -0.670) 6.580 6.027 ( -2.260 -1.305 -0.333) 2.630 6.648 ( 1.603 0.926 -4.674) 5.027 7.238 ( -10.927 -6.309 6.185) 14.051 8.046 ( -5.579 -3.221 -9.969) 11.870======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 13.924 8.039 -7.413) 17.705 1.577 ( 13.327 7.694 -2.961) 15.671 2.281 ( 3.708 2.141 1.296) 4.473 2.465 ( 5.423 3.131 -0.430) 6.277 3.013 ( 4.233 2.444 -2.970) 5.719 3.506 ( 12.970 7.488 7.397) 16.704 5.307 ( 4.879 2.817 0.675) 5.674 5.810 ( -3.036 -1.753 -0.994) 3.644 6.002 ( 0.392 0.227 -0.325) 0.558 6.621 ( -2.811 -1.623 -1.706) 3.667 6.982 ( -12.862 -7.426 3.312) 15.216 7.911 ( -3.201 -1.848 -7.484) 8.347======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( 8.284 4.783 -3.517) 10.191 1.844 ( 12.515 7.225 -8.991) 17.020 2.382 ( 4.468 2.579 1.932) 5.509 2.569 ( 3.767 2.175 -0.730) 4.411 2.979 ( -4.925 -2.844 2.486) 6.207 3.829 ( 11.316 6.533 3.847) 13.621 5.394 ( 2.541 1.467 0.432) 2.965 5.786 ( 1.261 0.728 -1.368) 1.998 6.042 ( 2.954 1.705 -0.180) 3.415 6.524 ( -5.831 -3.366 2.021) 7.030 6.690 ( -11.444 -6.607 -2.848) 13.517 7.857 ( -0.412 -0.238 -3.176) 3.212======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( 3.970 2.292 -2.768) 5.355 2.086 ( 10.944 6.318 -8.573) 15.270 2.478 ( 3.007 1.736 1.640) 3.840 2.622 ( 0.905 0.522 -1.290) 1.660 2.850 ( -6.609 -3.816 4.881) 9.058 4.021 ( 4.894 2.826 2.234) 6.077 5.432 ( 0.853 0.492 0.202) 1.005 5.851 ( 4.530 2.615 -1.730) 5.509 6.113 ( 2.666 1.539 -0.017) 3.078 6.330 ( -10.536 -6.083 2.850) 12.495 6.531 ( -2.005 -1.158 -3.316) 4.045 7.854 ( 0.383 0.221 -0.709) 0.836======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 1.000 0.578 -1.233) 1.689 2.265 ( 5.027 2.902 -4.206) 7.168 2.512 ( -0.612 -0.354 0.780) 1.053 2.605 ( -0.615 -0.355 -0.766) 1.045 2.741 ( -3.450 -1.992 0.685) 4.042 4.079 ( -0.276 -0.159 2.243) 2.265 5.441 ( -0.053 -0.030 0.071) 0.094 5.943 ( 1.556 0.898 -0.753) 1.948 6.146 ( 0.010 0.006 0.062) 0.063 6.163 ( -1.941 -1.120 0.174) 2.248 6.523 ( 1.294 0.747 0.449) 1.560 7.862 ( 0.363 0.209 0.311) 0.522======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -1.982 -1.144 1.008) 2.501 2.225 ( -7.512 -4.337 5.436) 10.237 2.454 ( -4.267 -2.463 -0.680) 4.973 2.638 ( -1.177 -0.679 0.653) 1.507 2.721 ( 6.415 3.704 -8.359) 11.169 4.015 ( -6.310 -3.643 1.642) 7.469 5.429 ( -1.012 -0.584 -0.031) 1.168 5.881 ( -4.401 -2.541 1.260) 5.235 6.114 ( -2.609 -1.506 0.088) 3.014 6.271 ( 8.736 5.044 -3.096) 10.552 6.590 ( 4.304 2.485 2.632) 5.624 7.879 ( 1.020 0.589 1.690) 2.060======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( -7.042 -4.066 4.155) 9.131 2.020 ( -11.944 -6.896 8.758) 16.338 2.334 ( -5.114 -2.953 -2.966) 6.609 2.563 ( -4.135 -2.388 -1.130) 4.907 2.904 ( 9.472 5.469 -5.422) 12.207 3.781 ( -14.584 -8.420 -0.719) 16.856 5.388 ( -2.803 -1.619 -0.224) 3.245 5.811 ( -1.556 -0.898 1.211) 2.167 6.046 ( -2.825 -1.631 0.146) 3.266 6.460 ( 8.061 4.654 -4.229) 10.224 6.739 ( 7.884 4.552 1.956) 9.311 7.932 ( 3.053 1.763 4.144) 5.441======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -13.698 -7.908 6.520) 17.108 1.739 ( -15.181 -8.765 9.479) 19.929 2.228 ( -2.946 -1.701 -4.293) 5.478 2.442 ( -6.429 -3.712 -2.069) 7.706 3.082 ( 4.621 2.668 2.425) 5.861 3.358 ( -19.366 -11.181 -6.601) 23.316 5.295 ( -5.118 -2.955 -0.528) 5.934 5.828 ( 2.671 1.542 0.750) 3.174 6.008 ( -0.296 -0.171 0.265) 0.433 6.597 ( 4.890 2.823 -4.066) 6.958 6.946 ( 9.668 5.582 -0.361) 11.169 8.046 ( 5.324 3.074 5.811) 8.460======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( -17.818 -10.287 7.684) 21.962 1.387 ( -18.102 -10.451 9.313) 22.883 2.167 ( -1.441 -0.832 -3.982) 4.316 2.212 ( -14.850 -8.573 -4.982) 17.856 2.751 ( -23.205 -13.397 3.275) 26.994 3.288 ( 6.127 3.537 -3.815) 8.037 5.163 ( -5.847 -3.376 -0.759) 6.794 5.925 ( 5.333 3.079 0.098) 6.159 6.033 ( 2.246 1.297 0.341) 2.616 6.659 ( 1.800 1.039 -3.662) 4.211 7.170 ( 10.034 5.793 -0.654) 11.604 8.190 ( 5.385 3.109 4.519) 7.687======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( -19.290 -11.137 9.510) 24.219 0.978 ( -20.069 -11.587 9.353) 24.990 1.647 ( -31.647 -18.271 -5.241) 36.917 2.132 ( -0.691 -0.399 -3.361) 3.455 2.370 ( -11.258 -6.500 2.020) 13.156 3.401 ( 4.144 2.392 -1.447) 4.999 5.039 ( -4.532 -2.616 -0.736) 5.284 6.050 ( 5.207 3.006 -0.394) 6.026 6.098 ( 2.994 1.728 0.311) 3.471 6.664 ( -0.179 -0.103 -5.240) 5.244 7.393 ( 9.179 5.300 0.810) 10.630 8.299 ( 3.041 1.756 0.816) 3.605======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 0.000 23.915 8.137) 25.262 0.673 ( 0.000 18.885 17.699) 25.882 1.008 ( 0.000 30.206 24.143) 38.669 2.078 ( -0.000 -0.495 -4.792) 4.818 2.172 ( -0.000 6.872 -2.619) 7.354 3.483 ( 0.000 -7.947 0.241) 7.950 4.956 ( -0.000 2.439 -0.257) 2.452 6.132 ( -0.000 -0.492 -4.963) 4.987 6.160 ( 0.000 -2.223 0.179) 2.231 6.250 ( -0.000 28.982 -34.827) 45.309 7.610 ( 0.000 -6.232 3.966) 7.387 8.258 ( -0.000 2.165 -7.295) 7.610======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.843 ( -1.138 18.524 16.285) 24.690 0.925 ( 4.811 24.458 2.023) 25.009 1.645 ( 24.252 24.930 16.736) 38.597 2.092 ( 3.741 -0.353 -5.035) 6.282 2.254 ( 1.433 9.888 -4.375) 10.908 3.397 ( -1.510 -4.187 -3.456) 5.635 5.018 ( 3.314 3.649 0.199) 4.933 6.078 ( -2.170 -4.973 -0.766) 5.480 6.113 ( -2.093 -2.670 0.051) 3.393 6.454 ( 7.526 10.194 -19.247) 23.044 7.509 ( -4.306 -8.904 5.463) 11.299 8.218 ( -3.345 -0.347 -8.062) 8.736======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 6.808 15.315 9.125) 19.083 1.253 ( 6.655 21.554 -2.143) 22.660 2.157 ( 5.324 1.337 -3.551) 6.538 2.229 ( 11.292 8.013 8.137) 16.060 2.478 ( 15.387 20.189 -3.756) 25.660 3.341 ( 0.235 -2.476 -1.267) 2.791 5.135 ( 4.804 5.189 0.655) 7.101 5.965 ( -4.479 -4.922 -0.822) 6.705 6.050 ( -2.255 -2.068 -0.113) 3.062 6.578 ( 5.062 2.088 -8.644) 10.232 7.335 ( -7.120 -9.877 6.475) 13.790 8.090 ( -6.393 -2.214 -9.325) 11.521======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( 9.446 11.419 2.032) 14.959 1.559 ( 7.003 18.042 -4.209) 19.806 2.258 ( 4.140 4.258 -0.955) 6.015 2.397 ( 5.288 3.385 -0.417) 6.293 2.923 ( 11.168 10.130 -3.378) 15.451 3.408 ( 8.455 4.622 5.805) 11.250 5.278 ( 4.537 6.367 0.894) 7.869 5.843 ( -3.938 -3.511 -1.042) 5.378 6.007 ( -0.964 -0.317 -0.329) 1.067 6.610 ( 0.982 -1.936 -4.409) 4.914 7.110 ( -10.010 -10.070 5.499) 15.226 7.930 ( -5.130 -2.650 -8.408) 10.199======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 9.723 8.239 -2.499) 12.987 1.811 ( 5.506 13.758 -5.213) 15.709 2.377 ( 3.067 7.049 0.944) 7.745 2.509 ( 4.977 1.914 -0.918) 5.410 3.014 ( -0.954 -1.015 -0.591) 1.513 3.713 ( 12.525 8.836 4.888) 16.089 5.404 ( 1.933 6.716 0.859) 7.041 5.773 ( -0.668 -1.285 -1.304) 1.948 6.017 ( 1.644 1.541 -0.357) 2.281 6.561 ( -1.910 -2.984 -2.339) 4.245 6.824 ( -13.009 -9.450 1.467) 16.146 7.835 ( -0.620 -2.459 -4.329) 5.017======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 7.031 5.585 -3.103) 9.500 1.996 ( 5.467 10.141 -6.593) 13.274 2.496 ( 1.393 7.392 1.936) 7.768 2.590 ( 2.992 0.664 -1.191) 3.288 2.940 ( -5.330 -2.141 2.632) 6.318 3.963 ( 7.150 4.777 2.741) 9.025 5.478 ( -1.229 6.733 0.564) 6.867 5.790 ( 3.386 0.490 -1.593) 3.774 6.079 ( 3.045 1.978 -0.086) 3.632 6.477 ( -8.714 -3.294 3.608) 9.990 6.535 ( -5.468 -5.699 -5.228) 9.471 7.817 ( 1.906 -2.608 -1.160) 3.433======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 1.724 3.671 -2.015) 4.529 2.175 ( 7.375 6.891 -6.882) 12.216 2.555 ( -2.134 2.759 2.401) 4.235 2.614 ( 0.287 0.365 -1.061) 1.158 2.831 ( -6.871 0.991 1.585) 7.121 4.078 ( 2.156 1.273 2.677) 3.666 5.506 ( -3.199 6.605 0.299) 7.345 5.872 ( 5.309 0.311 -1.457) 5.514 6.143 ( 2.045 1.758 0.162) 2.702 6.249 ( -9.356 -3.388 0.466) 9.961 6.499 ( 1.248 -0.706 -0.573) 1.544 7.826 ( 2.275 -2.846 0.028) 3.644======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -1.281 1.550 -0.626) 2.105 2.285 ( 0.081 0.817 -1.378) 1.604 2.509 ( -2.899 -0.909 0.514) 3.081 2.626 ( 0.852 1.186 -0.181) 1.471 2.745 ( -5.971 5.204 -3.347) 8.599 4.081 ( -3.112 -1.382 2.813) 4.417 5.504 ( -4.341 5.787 0.159) 7.236 5.904 ( -0.793 -3.553 0.437) 3.666 6.135 ( -2.371 -0.947 -0.192) 2.560 6.213 ( 3.922 5.461 -1.625) 6.917 6.539 ( 3.655 0.110 1.683) 4.025 7.840 ( 2.616 -2.738 0.848) 3.881======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( -4.649 -2.533 2.023) 5.668 2.189 ( -8.868 -2.336 5.135) 10.511 2.430 ( -6.595 0.519 -2.006) 6.913 2.603 ( -3.693 -2.258 0.074) 4.330 2.797 ( 6.281 7.701 -6.714) 11.993 3.943 ( -11.047 -4.549 1.566) 12.049 5.469 ( -5.443 3.851 0.052) 6.668 5.834 ( -2.354 -2.591 1.111) 3.672 6.081 ( -2.967 -1.285 0.104) 3.235 6.370 ( 7.077 6.323 -3.971) 10.287 6.644 ( 7.179 1.281 2.350) 7.662 7.879 ( 4.283 -1.779 2.451) 5.246======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( -10.296 -8.247 5.678) 14.362 1.999 ( -13.660 -1.061 5.959) 14.941 2.304 ( -7.292 1.788 -3.782) 8.407 2.500 ( -4.983 -3.080 -0.837) 5.918 2.986 ( 9.125 5.394 -3.671) 11.218 3.610 ( -20.693 -7.894 -0.609) 22.156 5.388 ( -6.979 1.128 -0.108) 7.070 5.807 ( 0.825 -0.113 0.816) 1.166 6.025 ( -2.098 -0.377 0.138) 2.136 6.522 ( 5.860 3.930 -4.418) 8.325 6.818 ( 9.887 2.623 0.903) 10.269 7.973 ( 6.639 -0.168 3.829) 7.666======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -15.652 -11.276 7.333) 20.638 1.729 ( -18.669 -0.955 5.352) 19.444 2.209 ( -4.666 2.149 -4.161) 6.611 2.350 ( -9.093 -3.742 -1.193) 9.905 3.091 ( -26.547 -8.017 3.789) 27.989 3.182 ( 7.394 2.483 -6.326) 10.042 5.258 ( -7.871 -0.752 -0.282) 7.912 5.864 ( 4.418 1.531 0.212) 4.680 6.015 ( 0.741 0.554 0.179) 0.943 6.615 ( 3.350 1.838 -4.241) 5.709 7.030 ( 11.132 2.984 0.405) 11.532 8.112 ( 7.416 0.564 2.794) 7.944======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -18.393 -11.329 8.190) 23.103 1.376 ( -22.510 -2.054 3.119) 22.818 2.044 ( -24.002 -3.400 0.811) 24.256 2.157 ( -2.995 1.790 -3.569) 4.991 2.574 ( -20.823 -5.758 -0.193) 21.605 3.327 ( 6.226 1.928 -1.516) 6.692 5.119 ( -6.917 -0.739 -0.256) 6.961 5.974 ( 6.103 1.567 -0.333) 6.310 6.055 ( 2.929 0.441 0.180) 2.968 6.649 ( 0.598 1.005 -5.057) 5.191 7.255 ( 11.414 2.365 1.733) 11.784 8.233 ( 5.668 -0.350 -0.766) 5.730======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -0.000 22.681 5.843) 23.422 1.153 ( 0.000 19.470 13.645) 23.776 1.748 ( 0.000 30.109 15.123) 33.694 2.033 ( -0.000 -0.251 -6.981) 6.986 2.343 ( -0.000 12.843 -4.948) 13.763 3.349 ( -0.000 -5.040 -4.147) 6.527 5.030 ( -0.000 5.190 -0.186) 5.194 6.037 ( 0.000 -5.654 -0.960) 5.735 6.103 ( 0.000 -3.447 0.148) 3.451 6.437 ( -0.000 9.149 -15.729) 18.196 7.459 ( 0.000 -11.503 5.272) 12.653 8.225 ( -0.000 -0.585 -7.454) 7.476======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( -3.130 19.080 12.719) 23.143 1.403 ( 1.961 21.888 1.739) 22.044 2.052 ( 5.177 1.306 -7.340) 9.076 2.171 ( 10.184 15.050 10.719) 21.098 2.507 ( 4.796 20.681 -6.453) 22.189 3.295 ( 0.639 -3.534 -1.892) 4.059 5.120 ( 3.556 6.417 0.311) 7.343 5.962 ( -1.834 -5.795 -0.746) 6.124 6.057 ( -1.263 -2.813 0.035) 3.084 6.496 ( 3.478 3.092 -9.774) 10.825 7.327 ( -3.067 -12.571 5.390) 14.017 8.147 ( -4.873 -1.803 -7.673) 9.266======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( -0.482 15.906 7.794) 17.720 1.653 ( 3.162 19.434 -1.177) 19.724 2.178 ( 8.457 3.910 -4.686) 10.429 2.373 ( 2.998 5.083 1.537) 6.098 2.850 ( 9.560 14.857 -5.430) 18.482 3.340 ( 6.117 4.401 4.775) 8.921 5.271 ( 5.134 7.904 1.066) 9.486 5.862 ( -3.167 -4.527 -1.020) 5.618 6.017 ( -0.876 -0.953 -0.320) 1.333 6.535 ( 2.947 -1.882 -5.930) 6.884 7.147 ( -5.405 -12.450 5.236) 14.548 7.989 ( -7.359 -2.627 -7.523) 10.847======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 2.752 12.215 2.217) 12.716 1.873 ( 2.773 15.074 -2.470) 15.524 2.370 ( 7.732 7.514 -1.441) 10.878 2.462 ( 2.567 3.992 0.180) 4.750 2.990 ( 2.400 0.184 -3.367) 4.138 3.619 ( 11.320 11.688 4.941) 17.005 5.441 ( 3.897 8.984 1.647) 9.930 5.775 ( -2.071 -2.329 -1.380) 3.408 6.013 ( 0.509 1.282 -0.861) 1.626 6.520 ( 0.947 -4.099 -4.387) 6.078 6.924 ( -8.820 -11.159 3.597) 14.672 7.831 ( -4.549 -3.139 -5.190) 7.582======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( 4.632 9.924 -0.266) 10.955 2.026 ( 1.827 10.312 -3.750) 11.123 2.531 ( 4.399 1.288 -0.675) 4.633 2.564 ( 1.828 9.316 1.936) 9.689 2.991 ( -0.807 0.323 -0.160) 0.884 3.895 ( 7.953 6.811 2.250) 10.710 5.575 ( 0.499 9.093 1.665) 9.258 5.748 ( 0.902 -0.052 -1.625) 1.859 6.053 ( 2.182 2.187 -1.013) 3.252 6.479 ( 0.492 -3.397 -3.630) 4.996 6.654 ( -11.850 -8.002 1.696) 14.399 7.752 ( 0.461 -4.017 -1.935) 4.482======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 2.571 7.771 -0.941) 8.239 2.137 ( 3.230 7.374 -4.604) 9.274 2.585 ( 1.567 -0.345 -1.000) 1.891 2.633 ( -1.602 1.742 3.856) 4.524 2.988 ( -4.758 8.710 -0.444) 9.935 4.043 ( 4.308 1.540 1.858) 4.938 5.649 ( -2.803 8.993 1.071) 9.480 5.790 ( 3.729 0.734 -1.440) 4.064 6.112 ( 2.979 1.200 -0.596) 3.267 6.378 ( -9.291 -5.069 -1.852) 10.744 6.480 ( -0.542 -0.062 0.628) 0.832 7.738 ( 2.988 -4.811 -0.291) 5.671======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( -1.750 5.083 -0.730) 5.425 2.254 ( 4.141 4.503 -4.523) 7.608 2.549 ( -3.376 -2.728 1.702) 4.662 2.619 ( 0.148 -1.889 1.330) 2.315 2.975 ( -9.582 13.143 -2.060) 16.395 4.097 ( 1.048 -1.229 2.593) 3.055 5.666 ( -5.293 8.001 0.532) 9.608 5.852 ( 2.986 -1.406 -0.468) 3.334 6.176 ( 2.303 -0.080 -0.999) 2.512 6.213 ( -4.485 2.029 -0.168) 4.925 6.496 ( 1.511 0.130 0.618) 1.637 7.747 ( 3.672 -5.047 0.283) 6.248======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -5.120 1.062 0.304) 5.238 2.287 ( -2.732 0.107 -0.020) 2.734 2.486 ( -1.564 -1.130 -1.158) 2.251 2.614 ( 0.772 -1.469 1.137) 2.012 2.910 ( -9.908 11.426 -3.559) 15.536 4.057 ( -5.081 -2.628 2.305) 6.168 5.629 ( -6.783 5.386 0.375) 8.669 5.840 ( -1.140 -2.691 0.556) 2.975 6.132 ( -3.270 0.870 0.346) 3.402 6.312 ( 5.712 5.815 -3.447) 8.850 6.546 ( 4.798 -0.676 1.973) 5.231 7.773 ( 4.877 -4.311 1.001) 6.586======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( -8.830 -3.679 2.467) 9.879 2.192 ( -8.193 -0.285 1.931) 8.423 2.434 ( -4.372 1.303 -2.718) 5.310 2.569 ( -5.831 -1.529 1.504) 6.213 2.915 ( 2.285 6.851 -3.819) 8.169 3.865 ( -14.660 -3.800 1.158) 15.189 5.543 ( -8.087 2.624 0.474) 8.516 5.801 ( -0.665 -1.178 0.413) 1.415 6.078 ( -3.896 0.757 0.086) 3.970 6.452 ( 5.531 4.496 -4.257) 8.303 6.671 ( 9.177 0.106 1.905) 9.373 7.845 ( 7.242 -2.636 1.551) 7.861======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -13.617 -5.555 3.879) 15.210 2.004 ( -13.601 -1.203 0.614) 13.668 2.342 ( -7.884 3.858 -2.837) 9.225 2.443 ( -5.915 -2.602 1.313) 6.594 3.054 ( 7.831 2.987 -3.125) 8.945 3.493 ( -24.192 -3.204 1.642) 24.458 5.409 ( -9.322 0.623 0.500) 9.357 5.810 ( 2.482 -0.036 -0.132) 2.486 6.030 ( -2.019 0.420 -0.128) 2.066 6.558 ( 4.300 2.460 -3.361) 5.987 6.858 ( 11.222 0.799 1.297) 11.325 7.970 ( 8.765 -1.508 0.281) 8.899======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -17.949 -3.742 3.876) 18.740 1.703 ( -18.845 -3.064 -2.307) 19.231 2.244 ( -5.937 2.415 -2.039) 6.726 2.316 ( -9.005 0.554 2.770) 9.438 2.969 ( -25.403 -1.616 -5.474) 26.036 3.243 ( 3.572 2.682 4.514) 6.350 5.255 ( -8.846 0.220 0.498) 8.863 5.878 ( 5.313 -0.157 -0.541) 5.343 6.021 ( 0.890 -0.123 -0.113) 0.905 6.627 ( 2.305 1.763 -2.998) 4.172 7.071 ( 12.095 0.258 2.421) 12.338 8.095 ( 7.895 -2.072 -3.146) 8.748======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( -0.000 19.057 2.726) 19.251 1.604 ( 0.000 18.086 10.552) 20.939 1.984 ( -0.000 0.335 -8.506) 8.512 2.267 ( 0.000 12.669 7.735) 14.843 2.654 ( -0.000 21.963 -8.881) 23.691 3.260 ( 0.000 -0.628 1.650) 1.766 5.154 ( -0.000 7.074 0.205) 7.077 5.920 ( 0.000 -5.291 -0.285) 5.299 6.038 ( 0.000 -2.749 -0.054) 2.749 6.463 ( -0.000 1.215 -7.827) 7.921 7.236 ( 0.000 -13.718 4.291) 14.374 8.149 ( -0.000 -2.359 -6.730) 7.132======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -3.652 13.850 2.234) 14.497 1.811 ( 0.746 16.722 5.598) 17.650 2.049 ( 8.399 4.356 -6.739) 11.616 2.390 ( 1.696 5.513 1.230) 5.898 2.845 ( 3.998 10.560 -7.996) 13.836 3.345 ( 3.583 11.287 6.787) 13.649 5.266 ( 4.356 7.611 0.744) 8.801 5.858 ( -1.678 -4.031 -0.496) 4.395 6.014 ( -0.207 -1.138 -0.249) 1.184 6.456 ( 1.704 -2.076 -5.391) 6.022 7.093 ( -2.103 -13.555 3.485) 14.153 8.056 ( -5.253 -2.894 -6.138) 8.581======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( -0.950 9.945 -0.101) 9.990 1.981 ( 0.998 12.166 1.052) 12.252 2.281 ( 10.271 9.067 -1.244) 13.756 2.468 ( 2.619 4.790 -1.077) 5.565 2.922 ( 3.101 -1.326 -3.478) 4.845 3.613 ( 6.914 16.335 4.885) 18.398 5.446 ( 6.317 8.355 1.645) 10.603 5.787 ( -2.323 -2.089 -1.163) 3.334 6.013 ( 0.443 1.081 -0.916) 1.484 6.438 ( 1.668 -4.452 -3.926) 6.166 6.923 ( -3.924 -12.363 2.729) 13.255 7.894 ( -7.401 -2.993 -4.912) 9.374======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 2.583 9.367 -0.124) 9.718 2.094 ( 0.716 8.184 -1.431) 8.339 2.472 ( 4.369 2.844 0.656) 5.254 2.611 ( 4.217 9.131 1.142) 10.122 2.959 ( 4.717 0.041 -1.122) 4.849 3.866 ( 5.128 10.187 1.667) 11.526 5.628 ( 3.883 7.506 2.433) 8.795 5.747 ( -0.480 0.958 -1.597) 1.923 6.042 ( 1.145 2.334 -2.026) 3.296 6.409 ( 1.726 -4.218 -3.166) 5.549 6.731 ( -6.405 -9.689 1.847) 11.761 7.741 ( -4.738 -3.313 -2.707) 6.384======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( 3.459 9.078 -0.230) 9.717 2.167 ( 0.460 6.060 -1.795) 6.337 2.545 ( 2.552 0.471 0.215) 2.604 2.675 ( -1.765 -1.369 3.094) 3.816 3.114 ( 4.201 13.061 -0.670) 13.736 3.994 ( 2.771 2.068 0.348) 3.475 5.717 ( 1.662 2.628 0.292) 3.123 5.795 ( 0.286 6.285 0.589) 6.319 6.072 ( 1.500 0.154 -2.438) 2.867 6.400 ( 0.712 -1.304 -2.872) 3.234 6.545 ( -6.439 -4.263 1.894) 7.951 7.657 ( -0.136 -4.416 -0.834) 4.496======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( -0.322 8.091 -0.322) 8.104 2.229 ( 2.065 4.275 -2.259) 5.258 2.569 ( -0.356 -0.769 -0.357) 0.920 2.599 ( -1.982 -5.686 3.212) 6.825 3.266 ( -5.539 17.473 -1.247) 18.373 4.035 ( 3.575 -3.617 1.185) 5.222 5.779 ( 2.423 2.374 -0.221) 3.399 5.829 ( -2.990 4.095 0.480) 5.093 6.094 ( 3.947 -2.620 -1.388) 4.936 6.341 ( -5.943 2.797 -0.411) 6.581 6.492 ( -0.032 0.723 0.217) 0.755 7.633 ( 2.857 -5.311 -0.072) 6.031======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( -6.031 4.433 0.044) 7.485 2.296 ( 1.689 2.095 -2.484) 3.662 2.495 ( -1.979 -3.615 1.781) 4.490 2.583 ( 1.084 -1.538 0.491) 1.945 3.242 ( -13.827 13.098 -1.670) 19.119 4.059 ( 2.296 -3.746 1.635) 4.688 5.777 ( -5.634 1.985 0.338) 5.983 5.827 ( 0.906 -0.118 -0.007) 0.914 6.150 ( 4.074 -1.046 -0.619) 4.251 6.316 ( -2.006 7.234 -0.537) 7.526 6.497 ( 0.524 -0.769 0.267) 0.968 7.646 ( 4.482 -4.706 0.213) 6.502======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( -9.166 -0.352 0.617) 9.194 2.288 ( -3.256 0.008 -1.467) 3.571 2.465 ( -0.501 0.060 0.311) 0.593 2.601 ( 1.328 -0.763 1.387) 2.066 3.084 ( -13.354 6.348 -1.387) 14.851 4.015 ( -5.360 -2.183 0.781) 5.839 5.689 ( -6.260 0.623 0.638) 6.324 5.814 ( -1.640 -0.445 0.004) 1.699 6.159 ( -3.093 0.925 -0.560) 3.277 6.402 ( 3.794 5.421 -3.063) 7.291 6.531 ( 6.021 -2.241 2.043) 6.742 7.701 ( 6.295 -2.676 0.148) 6.842======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -11.198 -1.536 0.766) 11.329 2.176 ( -8.397 -1.404 -2.404) 8.847 2.460 ( -2.013 2.317 0.191) 3.075 2.554 ( -7.504 -1.245 1.695) 7.793 2.991 ( -0.088 1.727 -0.674) 1.856 3.826 ( -15.268 -0.349 0.762) 15.291 5.571 ( -8.336 -0.136 1.032) 8.400 5.786 ( -0.281 -0.340 -0.738) 0.859 6.087 ( -4.344 -0.174 -0.792) 4.419 6.500 ( 4.094 2.448 -2.181) 5.245 6.672 ( 10.768 -1.162 1.592) 10.947 7.806 ( 7.923 -1.066 -1.194) 8.083======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -14.333 0.525 -0.181) 14.343 1.951 ( -14.465 -2.633 -4.496) 15.375 2.384 ( -9.224 -0.707 0.613) 9.271 2.438 ( -3.889 2.636 1.249) 4.862 3.054 ( 4.192 -0.707 -2.685) 5.028 3.524 ( -20.840 3.927 4.368) 21.651 5.414 ( -9.215 -0.659 0.986) 9.291 5.801 ( 2.638 -0.472 -1.101) 2.897 6.026 ( -1.929 -0.487 -0.485) 2.048 6.580 ( 3.934 1.028 -1.353) 4.285 6.864 ( 12.173 -1.488 2.127) 12.446 7.925 ( 7.776 -1.345 -4.181) 8.931======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( -0.000 12.216 -3.307) 12.655 1.913 ( -0.000 1.395 -1.089) 1.769 2.022 ( -0.000 14.703 0.333) 14.707 2.422 ( -0.000 3.578 -1.576) 3.910 2.857 ( -0.000 2.318 -3.535) 4.227 3.492 ( 0.000 19.294 6.834) 20.469 5.295 ( -0.000 6.407 0.535) 6.429 5.838 ( 0.000 -2.534 -0.359) 2.560 6.008 ( -0.000 0.139 -0.244) 0.281 6.402 ( -0.000 -3.197 -3.603) 4.817 6.985 ( 0.000 -13.201 1.780) 13.321 8.055 ( -0.000 -3.264 -5.086) 6.043======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( -1.910 4.271 -4.732) 6.655 2.029 ( 4.007 4.770 -3.744) 7.268 2.239 ( 6.994 14.089 1.964) 15.852 2.458 ( 1.808 2.958 -2.374) 4.202 2.862 ( 0.844 -2.428 1.433) 2.943 3.730 ( 2.286 19.021 4.419) 19.661 5.408 ( 5.897 5.682 0.843) 8.232 5.805 ( -1.671 -0.801 -1.029) 2.120 6.020 ( 0.225 2.060 -0.419) 2.114 6.363 ( 0.716 -4.454 -1.923) 4.904 6.851 ( -1.476 -11.787 0.603) 11.895 7.963 ( -5.018 -3.126 -4.029) 7.155======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 2.873 5.518 -2.649) 6.762 2.116 ( 3.348 3.099 -3.273) 5.615 2.456 ( 2.650 5.315 2.018) 6.272 2.593 ( 8.893 9.349 -1.050) 12.946 2.859 ( 3.130 -3.556 2.467) 5.342 3.936 ( 1.289 13.126 1.600) 13.285 5.596 ( 8.165 5.360 1.498) 9.881 5.768 ( -1.674 1.003 -1.696) 2.585 6.050 ( 0.347 3.181 -1.269) 3.443 6.329 ( 1.388 -4.636 -0.858) 4.915 6.709 ( -2.681 -9.667 0.062) 10.032 7.815 ( -7.131 -2.467 -2.631) 7.991======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.036 ( 4.979 6.437 -1.048) 8.205 2.192 ( 2.764 3.251 -1.536) 4.536 2.521 ( 1.469 1.646 1.104) 2.467 2.697 ( -1.995 -1.792 2.302) 3.534 3.057 ( 14.811 9.088 0.475) 17.383 4.025 ( -2.049 5.450 -0.361) 5.834 5.724 ( 0.510 2.678 0.023) 2.726 5.809 ( 4.546 3.785 0.495) 5.937 6.067 ( -1.108 1.380 -2.574) 3.124 6.338 ( 4.099 -1.516 -0.490) 4.397 6.576 ( -3.228 -6.308 0.371) 7.095 7.673 ( -5.649 -2.255 -1.210) 6.201======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 4.320 5.216 -1.399) 6.915 2.265 ( 1.262 4.872 0.289) 5.041 2.552 ( 0.890 -0.230 0.779) 1.205 2.605 ( -4.163 -5.525 1.573) 7.095 3.408 ( 10.361 14.252 0.320) 17.623 3.979 ( -3.772 -3.111 -0.621) 4.929 5.760 ( 1.337 2.507 -0.622) 2.908 5.901 ( 1.307 2.687 1.766) 3.471 6.022 ( -1.351 -2.752 -2.364) 3.872 6.413 ( 1.991 2.962 -1.201) 3.765 6.497 ( -0.768 -1.760 1.119) 2.223 7.577 ( -2.009 -2.957 -0.343) 3.591======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( 2.677 2.791 -1.786) 4.260 2.314 ( -3.832 6.196 0.605) 7.311 2.474 ( -1.730 -7.504 1.673) 7.880 2.564 ( 0.178 -0.227 -0.016) 0.289 3.591 ( -9.994 14.167 -0.587) 17.347 3.914 ( 7.145 -8.432 0.489) 11.063 5.803 ( 1.231 0.714 -0.272) 1.449 5.888 ( -5.006 1.544 0.451) 5.258 6.028 ( 6.217 -2.302 -0.713) 6.667 6.429 ( -2.148 3.744 0.436) 4.339 6.501 ( -0.693 0.119 -0.445) 0.832 7.548 ( 1.977 -2.604 -0.043) 3.270======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( -9.649 -0.143 0.036) 9.650 2.307 ( 0.074 0.541 -2.118) 2.187 2.461 ( 2.042 -0.265 2.557) 3.283 2.569 ( 1.064 -0.216 0.189) 1.102 3.395 ( -17.073 0.943 0.174) 17.100 4.004 ( 4.553 -0.882 -0.338) 4.650 5.779 ( -4.144 -0.051 -0.089) 4.146 5.840 ( -1.536 -0.031 0.598) 1.649 6.131 ( 5.691 -0.004 -1.740) 5.951 6.438 ( -0.045 1.017 1.051) 1.463 6.457 ( -2.030 -0.713 -0.506) 2.210 7.592 ( 4.545 -0.155 -0.200) 4.552======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -9.847 -0.592 -0.296) 9.870 2.260 ( -4.403 -0.824 -3.592) 5.742 2.503 ( 0.065 2.092 3.135) 3.770 2.596 ( 1.287 -0.600 1.028) 1.753 3.108 ( -12.794 -3.980 1.007) 13.436 4.000 ( -4.926 0.842 -0.696) 5.045 5.691 ( -6.139 -0.856 0.814) 6.251 5.806 ( -2.043 -0.177 -0.750) 2.184 6.144 ( -2.669 -1.144 -1.969) 3.509 6.463 ( 3.155 -1.874 2.648) 4.525 6.488 ( 6.638 0.083 -1.976) 6.926 7.689 ( 5.624 1.908 -1.072) 6.035======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -10.763 1.904 -1.916) 11.097 2.116 ( -9.471 -1.751 -5.205) 10.948 2.503 ( -4.407 -1.052 3.770) 5.894 2.548 ( -5.560 1.725 -0.699) 5.863 2.973 ( 1.527 -3.459 2.127) 4.338 3.862 ( -12.683 3.147 0.935) 13.101 5.548 ( -7.969 -3.011 0.999) 8.577 5.781 ( -0.633 0.800 -1.624) 1.918 6.070 ( -3.521 -0.360 -0.731) 3.614 6.510 ( 3.854 -1.513 1.064) 4.275 6.639 ( 11.543 -2.436 -0.773) 11.823 7.800 ( 5.468 1.852 -2.897) 6.459======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( -0.000 0.174 -4.318) 4.322 1.978 ( -0.000 2.105 -10.653) 10.859 2.318 ( -0.000 11.995 2.754) 12.307 2.467 ( -0.000 3.015 -0.811) 3.122 2.845 ( 0.000 -2.846 5.056) 5.802 3.909 ( -0.000 17.215 3.162) 17.503 5.396 ( -0.000 3.344 0.430) 3.371 5.816 ( -0.000 0.765 -1.494) 1.679 6.044 ( -0.000 3.391 -0.179) 3.396 6.311 ( 0.000 -4.614 0.333) 4.626 6.754 ( 0.000 -9.746 -1.108) 9.809 7.964 ( -0.000 -3.088 -3.080) 4.361======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 2.001 2.235 -3.378) 4.518 2.018 ( 6.175 -0.945 -7.656) 9.881 2.482 ( 2.750 6.663 1.970) 7.473 2.521 ( 5.821 5.777 -0.469) 8.214 2.823 ( -0.732 -3.636 5.263) 6.438 4.065 ( -0.273 12.302 1.286) 12.372 5.491 ( 7.426 2.434 0.417) 7.826 5.809 ( -1.672 2.000 -1.900) 3.226 6.081 ( 0.023 3.814 -0.291) 3.825 6.270 ( 0.289 -4.733 1.561) 4.992 6.654 ( -1.328 -7.133 -1.794) 7.474 7.888 ( -4.464 -2.309 -2.037) 5.423======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( 5.764 4.140 -0.814) 7.143 2.108 ( 7.171 -0.608 -3.553) 8.026 2.528 ( 0.401 1.769 0.919) 2.033 2.719 ( 0.661 1.181 0.572) 1.469 2.856 ( 12.854 2.070 2.987) 13.358 4.135 ( -2.854 6.564 -0.334) 7.165 5.674 ( 9.606 2.052 0.550) 9.838 5.796 ( -1.424 2.494 -1.640) 3.307 6.106 ( -1.211 2.706 -0.863) 3.088 6.250 ( 2.551 -3.737 1.649) 4.816 6.562 ( -2.046 -4.360 -1.311) 4.992 7.767 ( -6.742 -1.177 -1.026) 6.920======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( 5.527 3.027 -0.114) 6.303 2.224 ( 6.566 1.177 -0.765) 6.714 2.547 ( 0.325 0.336 0.590) 0.753 2.647 ( -4.977 -2.926 0.767) 5.824 3.211 ( 20.117 4.229 0.852) 20.575 4.088 ( -7.228 1.743 -0.868) 7.486 5.780 ( -0.307 2.967 -0.426) 3.013 5.841 ( 5.512 -0.750 0.219) 5.567 6.074 ( -4.177 0.850 -0.614) 4.306 6.323 ( 7.908 -0.624 0.300) 7.939 6.500 ( -1.396 -1.444 -0.122) 2.012 7.639 ( -6.530 -0.595 -0.326) 6.566======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.230 ( 4.015 1.158 0.653) 4.230 2.334 ( 5.131 -0.087 -0.422) 5.149 2.505 ( -6.576 -1.879 -0.415) 6.852 2.564 ( -0.481 0.032 -0.017) 0.482 3.578 ( 18.750 -0.619 0.209) 18.761 3.924 ( -12.311 0.801 -0.170) 12.338 5.796 ( 0.367 0.581 0.164) 0.707 5.912 ( 4.530 -1.719 -0.907) 4.930 5.997 ( -5.307 1.906 1.043) 5.734 6.453 ( 4.108 1.335 -1.149) 4.470 6.478 ( 0.651 -1.396 1.078) 1.880 7.547 ( -3.272 0.180 0.023) 3.277======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( 0.672 -0.815 0.141) 1.065 2.318 ( -2.226 -6.867 0.856) 7.269 2.443 ( -0.598 5.469 -1.220) 5.636 2.564 ( 0.160 0.275 0.006) 0.318 3.600 ( -8.820 -13.754 0.298) 16.342 3.906 ( 5.796 8.165 -0.253) 10.016 5.808 ( 0.711 -0.148 0.186) 0.750 5.883 ( -3.484 -2.449 -0.155) 4.262 6.036 ( 4.522 3.562 0.178) 5.759 6.425 ( -2.513 -3.832 -0.066) 4.583 6.505 ( -0.122 -0.046 0.106) 0.168 7.549 ( 1.766 2.690 0.017) 3.218======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.156 ( -6.218 -4.249 -0.179) 7.533 2.308 ( -1.919 0.805 -1.730) 2.707 2.497 ( 2.628 1.104 2.499) 3.790 2.578 ( 0.560 1.288 -0.164) 1.414 3.269 ( -13.113 -12.358 1.027) 18.048 4.032 ( 1.852 3.021 -1.022) 3.688 5.777 ( -5.241 -2.133 0.248) 5.664 5.824 ( -0.033 -0.269 -0.163) 0.316 6.141 ( 2.395 2.208 -1.431) 3.558 6.333 ( 0.862 -7.096 0.975) 7.214 6.492 ( -0.944 0.399 -0.209) 1.046 7.640 ( 3.922 4.683 -0.355) 6.119======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( -6.799 -0.580 -1.238) 6.936 2.230 ( -6.821 0.805 -4.860) 8.414 2.550 ( 0.384 -0.911 4.637) 4.741 2.600 ( 0.162 1.497 -0.644) 1.638 2.969 ( -7.273 -9.720 2.325) 12.361 4.029 ( -4.318 1.999 -0.458) 4.780 5.632 ( -6.603 -5.903 0.593) 8.877 5.819 ( -1.873 2.762 -1.538) 3.675 6.123 ( -2.969 0.334 -0.533) 3.035 6.370 ( 8.087 -6.987 2.339) 10.940 6.502 ( 2.419 1.126 -2.410) 3.596 7.752 ( 3.595 4.478 -1.063) 5.840======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( -0.000 0.625 -1.841) 1.944 1.915 ( -0.000 -0.590 -6.713) 6.739 2.512 ( -0.000 6.184 1.014) 6.266 2.524 ( 0.000 2.056 0.740) 2.185 2.814 ( 0.000 -3.305 4.277) 5.405 4.176 ( -0.000 8.533 0.250) 8.537 5.438 ( -0.000 1.001 0.129) 1.010 5.843 ( -0.000 2.760 -1.839) 3.317 6.116 ( -0.000 3.254 -0.058) 3.255 6.229 ( 0.000 -4.661 2.456) 5.268 6.606 ( -0.000 -3.846 -2.305) 4.484 7.901 ( -0.000 -1.782 -1.300) 2.205======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 4.521 3.383 0.881) 5.715 1.955 ( 6.600 -1.085 -2.738) 7.227 2.541 ( 0.024 0.837 0.731) 1.111 2.636 ( 8.627 3.297 -0.336) 9.242 2.781 ( -1.121 -3.200 2.659) 4.309 4.225 ( -1.465 3.922 -0.877) 4.277 5.520 ( 8.153 0.523 -0.012) 8.170 5.850 ( -1.750 2.600 -0.935) 3.271 6.142 ( -0.188 1.937 -0.052) 1.946 6.194 ( 0.403 -3.765 1.566) 4.098 6.561 ( -1.572 -1.220 -1.526) 2.508 7.850 ( -3.974 -0.630 -0.593) 4.067======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 6.312 -0.246 -0.038) 6.317 2.106 ( 7.810 2.804 1.973) 8.530 2.545 ( 0.085 -0.392 0.393) 0.561 2.702 ( -3.394 -1.270 -1.167) 3.807 2.896 ( 17.372 -0.821 1.059) 17.423 4.196 ( -3.940 0.110 -1.245) 4.133 5.691 ( 10.159 -0.324 -0.401) 10.172 5.832 ( -2.202 1.088 0.292) 2.474 6.138 ( -1.902 0.603 0.482) 2.053 6.202 ( 3.989 -1.104 0.194) 4.143 6.523 ( -2.021 0.703 -0.407) 2.178 7.756 ( -6.573 0.373 -0.083) 6.584======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 6.239 -2.307 1.156) 6.752 2.240 ( 4.662 0.320 1.004) 4.779 2.536 ( -0.186 -1.469 -0.682) 1.630 2.620 ( -4.359 0.943 -1.877) 4.839 3.207 ( 19.977 -4.863 0.484) 20.566 4.093 ( -6.642 -1.020 -0.434) 6.734 5.787 ( 1.085 -3.100 0.171) 3.288 5.831 ( 3.222 0.640 -0.638) 3.347 6.100 ( -3.600 1.305 2.050) 4.344 6.318 ( 8.755 0.426 -0.297) 8.771 6.501 ( -2.045 1.373 -0.024) 2.463 7.645 ( -6.619 1.236 0.248) 6.739======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 4.942 -6.824 1.108) 8.498 2.269 ( 0.542 -2.489 1.129) 2.786 2.519 ( -0.487 2.051 -2.852) 3.547 2.578 ( -2.277 2.160 -0.900) 3.265 3.401 ( 10.546 -13.872 -0.395) 17.430 3.993 ( -4.058 2.937 0.765) 5.067 5.773 ( 1.420 -2.715 0.629) 3.128 5.864 ( 1.239 -2.360 -1.873) 3.258 6.079 ( -2.042 3.717 3.316) 5.383 6.438 ( 2.412 -2.339 1.293) 3.600 6.469 ( -1.078 1.254 -1.785) 2.433 7.585 ( -2.344 3.384 0.441) 4.140======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( -0.590 -7.745 0.077) 7.768 2.285 ( 3.015 -2.501 3.036) 4.956 2.528 ( -2.308 4.315 -3.742) 6.161 2.576 ( 0.952 0.941 0.176) 1.350 3.276 ( -4.427 -17.263 -0.284) 17.824 4.026 ( 2.062 3.044 0.300) 3.689 5.780 ( 1.001 -4.701 -0.198) 4.810 5.824 ( -0.781 -1.431 -0.003) 1.630 6.125 ( 2.008 2.895 1.780) 3.947 6.341 ( -6.839 -2.230 -0.571) 7.217 6.491 ( 0.775 -1.003 0.058) 1.269 7.637 ( 2.348 5.509 0.309) 5.996======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( -2.312 -4.004 -0.000) 4.623 2.307 ( -0.388 -0.671 -0.000) 0.775 2.519 ( 0.346 0.599 -0.000) 0.692 2.611 ( 0.852 1.475 -0.000) 1.703 2.996 ( -8.028 -13.905 -0.000) 16.057 4.071 ( 0.462 0.799 -0.000) 0.923 5.660 ( -4.753 -8.232 -0.000) 9.506 5.857 ( 1.426 2.470 -0.000) 2.852 6.187 ( 0.608 1.052 -0.000) 1.215 6.215 ( -2.038 -3.530 -0.000) 4.076 6.490 ( 0.156 0.271 -0.000) 0.313 7.744 ( 3.043 5.270 0.000) 6.085======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 0.000 0.977 1.053) 1.436 1.933 ( 0.000 3.905 3.616) 5.322 2.545 ( 0.000 -0.309 0.619) 0.692 2.570 ( -0.000 -0.515 -0.582) 0.778 2.770 ( 0.000 -2.339 -0.104) 2.342 4.252 ( -0.000 -0.249 -1.779) 1.796 5.447 ( -0.000 -0.060 -0.069) 0.092 5.887 ( 0.000 1.389 0.553) 1.495 6.151 ( -0.000 0.010 -0.064) 0.065 6.167 ( 0.000 -1.565 0.040) 1.565 6.573 ( -0.000 1.169 -0.680) 1.353 7.882 ( -0.000 0.449 -0.155) 0.475======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 3.871 -0.110 1.523) 4.161 2.050 ( 5.104 5.252 6.892) 10.057 2.536 ( -0.056 -1.684 0.165) 1.693 2.633 ( 9.840 -3.072 -0.595) 10.326 2.732 ( -1.646 -1.455 -2.217) 3.121 4.212 ( -1.150 -4.324 -2.237) 5.002 5.516 ( 7.967 -0.753 -0.324) 8.009 5.874 ( -1.941 -0.979 1.514) 2.650 6.142 ( 0.075 -1.823 -0.184) 1.834 6.175 ( 0.826 2.291 -0.258) 2.449 6.577 ( -1.781 2.955 0.093) 3.452 7.858 ( -4.002 1.563 0.158) 4.299======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.014 ( 4.999 -2.619 1.494) 5.838 2.188 ( 3.782 1.528 4.669) 6.200 2.512 ( 0.146 -2.969 -0.989) 3.132 2.680 ( -2.417 0.372 -3.122) 3.966 2.835 ( 16.985 -4.579 0.909) 17.615 4.122 ( -1.819 -6.789 -1.646) 7.219 5.656 ( 8.762 -2.740 -1.201) 9.259 5.827 ( -1.689 -2.000 1.421) 2.979 6.126 ( 0.618 -2.372 0.943) 2.626 6.240 ( 2.716 4.709 0.799) 5.495 6.575 ( -2.834 4.539 0.013) 5.351 7.782 ( -6.831 2.231 0.435) 7.199======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 4.276 -7.110 0.206) 8.299 2.234 ( 1.408 -2.798 3.064) 4.382 2.494 ( 1.595 -1.532 -1.782) 2.840 2.644 ( -2.094 1.657 -2.937) 3.969 3.061 ( 14.431 -8.455 0.859) 16.747 4.026 ( -0.857 -6.053 -0.318) 6.121 5.710 ( 2.730 -4.333 -1.331) 5.291 5.808 ( 1.315 -2.454 0.361) 2.808 6.123 ( 0.443 -1.676 2.952) 3.423 6.357 ( 4.726 3.847 1.635) 6.309 6.562 ( -4.550 5.267 -1.198) 7.063 7.694 ( -5.979 3.371 0.887) 6.921======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 3.916 -9.224 0.047) 10.021 2.224 ( 1.334 -4.761 3.862) 6.274 2.527 ( 2.912 0.654 -1.981) 3.582 2.613 ( -2.138 1.072 -2.694) 3.603 3.115 ( 3.710 -12.687 -0.541) 13.229 3.994 ( 2.731 -3.489 0.420) 4.451 5.700 ( 2.062 -5.231 -1.165) 5.743 5.798 ( 0.727 -2.843 0.751) 3.029 6.122 ( 0.527 -2.007 2.599) 3.326 6.456 ( 1.685 2.851 2.768) 4.316 6.499 ( -7.703 4.255 -2.847) 9.249 7.678 ( -0.990 5.232 1.234) 5.466======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 0.000 0.945 2.884) 3.035 2.086 ( 0.000 4.941 10.443) 11.553 2.486 ( 0.000 -7.163 -1.650) 7.350 2.525 ( 0.000 -1.824 0.989) 2.075 2.730 ( -0.000 0.319 -4.338) 4.350 4.143 ( 0.000 -9.381 -3.094) 9.878 5.435 ( 0.000 -1.181 -0.232) 1.204 5.878 ( 0.000 -2.807 1.558) 3.211 6.117 ( 0.000 -3.153 -0.030) 3.153 6.203 ( -0.000 5.259 -0.191) 5.262 6.632 ( -0.000 4.741 0.499) 4.767 7.917 ( -0.000 2.945 0.266) 2.957======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 1.116 -0.947 2.505) 2.901 2.163 ( 1.948 -0.747 6.619) 6.940 2.442 ( 3.251 -8.308 -2.141) 9.175 2.555 ( 6.183 -3.886 3.196) 7.972 2.732 ( 0.195 4.759 -3.663) 6.009 4.021 ( 0.586 -13.397 -3.061) 13.755 5.481 ( 6.843 -2.749 -0.630) 7.401 5.838 ( -1.536 -2.590 0.930) 3.151 6.084 ( 0.411 -3.532 -0.001) 3.556 6.275 ( 1.006 6.574 1.977) 6.938 6.673 ( -1.866 6.646 0.199) 6.906 7.913 ( -4.448 3.768 0.378) 5.841======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 0.876 -6.613 -0.206) 6.674 2.175 ( 1.963 -5.759 2.879) 6.731 2.423 ( 3.600 -5.046 -1.207) 6.315 2.597 ( 4.195 -7.159 -1.000) 8.358 2.852 ( 6.167 5.848 2.034) 8.738 3.899 ( 2.881 -14.707 -2.178) 15.144 5.564 ( 6.945 -5.661 -1.643) 9.109 5.795 ( -1.249 -1.277 0.988) 2.041 6.071 ( 1.867 -3.206 0.797) 3.795 6.373 ( 1.668 6.602 3.645) 7.724 6.699 ( -3.724 8.164 -1.024) 9.032 7.851 ( -7.101 4.329 0.957) 8.372======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 2.995 -10.495 -1.166) 10.976 2.147 ( 2.056 -8.301 3.509) 9.244 2.462 ( 4.349 -1.166 -0.370) 4.518 2.574 ( 2.446 -7.424 -2.385) 8.173 2.982 ( 3.121 0.913 1.164) 3.454 3.836 ( 6.605 -12.641 -1.365) 14.327 5.585 ( 3.954 -7.367 -1.877) 8.569 5.776 ( -0.368 -0.633 1.320) 1.510 6.077 ( 1.712 -3.517 1.473) 4.180 6.473 ( 1.295 5.226 3.285) 6.307 6.691 ( -6.643 8.675 -2.229) 11.152 7.790 ( -5.313 5.341 2.156) 7.836======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( 0.000 -0.795 1.246) 1.478 2.125 ( 0.000 -7.376 3.443) 8.140 2.282 ( 0.000 -11.684 -0.500) 11.695 2.507 ( 0.000 -2.317 2.951) 3.752 2.783 ( -0.000 8.113 -0.252) 8.117 3.839 ( 0.000 -19.064 -3.840) 19.447 5.389 ( 0.000 -3.492 -0.310) 3.505 5.831 ( 0.000 -1.570 0.041) 1.570 6.047 ( 0.000 -3.252 0.074) 3.252 6.342 ( 0.000 7.006 3.310) 7.748 6.765 ( -0.000 8.415 -0.008) 8.415 7.997 ( -0.000 4.877 0.152) 4.879======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( -2.955 -8.082 -2.991) 9.111 2.059 ( 2.677 -10.864 -0.257) 11.192 2.242 ( 6.771 -8.900 2.106) 11.380 2.489 ( 1.248 -4.978 0.640) 5.172 2.895 ( 1.249 9.844 4.667) 10.966 3.646 ( 3.361 -21.957 -3.894) 22.552 5.393 ( 5.078 -5.708 -0.628) 7.666 5.815 ( -1.040 0.459 0.055) 1.138 6.025 ( 0.590 -1.998 0.137) 2.088 6.430 ( 0.908 6.372 4.741) 7.994 6.836 ( -2.145 9.847 -0.907) 10.118 8.007 ( -4.673 5.363 0.394) 7.124======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( -0.091 -13.907 -4.597) 14.647 2.000 ( 3.919 -12.912 1.432) 13.570 2.317 ( 8.226 -5.317 2.451) 10.097 2.457 ( 1.617 -6.083 -1.552) 6.482 3.014 ( 0.344 6.618 5.163) 8.401 3.522 ( 8.839 -20.613 -4.109) 22.802 5.417 ( 5.477 -7.928 -1.170) 9.707 5.806 ( -1.608 2.012 0.702) 2.670 6.027 ( 1.149 -1.468 0.450) 1.918 6.521 ( 0.990 5.309 4.430) 6.985 6.875 ( -4.665 10.368 -2.178) 11.576 7.962 ( -6.782 5.799 1.900) 9.124======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( -0.000 -13.266 -7.732) 15.355 1.878 ( 0.000 -16.030 -4.224) 16.577 2.124 ( 0.000 -4.368 6.619) 7.930 2.420 ( 0.000 -7.477 -0.214) 7.480 3.002 ( 0.000 7.945 9.403) 12.310 3.362 ( 0.000 -24.374 -5.955) 25.091 5.290 ( 0.000 -6.251 -0.008) 6.251 5.838 ( -0.000 2.590 -0.334) 2.611 6.010 ( 0.000 -0.207 -0.016) 0.207 6.496 ( 0.000 5.222 5.825) 7.823 6.956 ( -0.000 11.045 -1.183) 11.108 8.104 ( -0.000 5.745 -0.165) 5.748======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( -3.300 -18.578 -8.855) 20.843 1.768 ( 5.745 -16.867 -2.823) 18.041 2.165 ( 5.288 -2.744 5.293) 7.969 2.349 ( 2.279 -9.505 -1.091) 9.835 3.041 ( 2.868 -15.878 10.595) 19.303 3.204 ( 2.665 -3.032 -7.299) 8.341 5.258 ( 3.601 -7.326 -0.121) 8.164 5.864 ( -1.061 4.344 0.128) 4.474 6.016 ( 0.012 0.969 -0.047) 0.970 6.567 ( 0.763 3.828 5.786) 6.980 7.041 ( -2.746 11.433 -1.885) 11.909 8.123 ( -4.240 5.771 0.538) 7.181======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( -0.000 -20.051 -9.609) 22.235 1.471 ( -0.000 -20.683 -8.031) 22.188 2.121 ( 0.000 -1.146 5.779) 5.891 2.184 ( 0.000 -18.246 0.611) 18.257 2.763 ( 0.000 -26.361 1.093) 26.384 3.259 ( -0.000 8.095 2.198) 8.389 5.157 ( 0.000 -6.853 0.512) 6.872 5.925 ( -0.000 5.875 0.162) 5.878 6.036 ( -0.000 2.629 -0.244) 2.640 6.609 ( 0.000 2.055 6.746) 7.052 7.176 ( -0.000 11.832 -1.743) 11.960 8.214 ( -0.000 5.252 -0.396) 5.267======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( 0.000 -0.000 23.335) 23.335 0.452 ( 0.000 -0.000 23.335) 23.335 0.762 ( 0.000 -0.000 39.861) 39.861 2.081 ( -0.000 0.000 -4.230) 4.230 2.081 ( -0.000 0.000 -4.230) 4.230 3.870 ( -0.000 0.000 -11.320) 11.320 4.936 ( 0.000 -0.000 0.099) 0.099 4.936 ( 0.000 -0.000 0.099) 0.099 6.182 ( 0.000 -0.000 0.067) 0.067 6.182 ( 0.000 -0.000 0.067) 0.067 7.668 ( 0.000 -0.000 2.918) 2.918 8.208 ( -0.000 0.000 -1.045) 1.045======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 9.119 5.265 15.487) 18.727 0.681 ( 7.841 4.527 21.964) 23.757 1.286 ( 28.586 16.504 24.339) 41.012 2.093 ( 3.430 1.980 -6.267) 7.414 2.102 ( 1.780 1.028 -3.560) 4.111 3.479 ( -8.321 -4.804 -2.492) 9.926 4.972 ( 2.716 1.568 0.373) 3.159 6.006 ( 36.919 21.315 -35.774) 55.651 6.149 ( -3.064 -1.769 -0.110) 3.539 6.155 ( -2.175 -1.256 -0.040) 2.512 7.639 ( -4.225 -2.439 4.329) 6.522 8.199 ( -1.158 -0.669 -5.965) 6.113======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 14.746 8.514 7.004) 18.412 0.958 ( 11.126 6.424 11.701) 17.377 2.024 ( 28.405 16.400 16.296) 36.625 2.141 ( 2.497 1.442 -2.726) 3.968 2.190 ( 7.486 4.322 -9.349) 12.733 3.366 ( -1.874 -1.082 -4.586) 5.070 5.060 ( 4.749 2.742 0.504) 5.506 6.047 ( -5.515 -3.184 -0.561) 6.393 6.091 ( -3.144 -1.815 -0.133) 3.632 6.438 ( 13.122 7.576 -16.184) 22.170 7.507 ( -8.454 -4.881 6.963) 11.991 8.104 ( -4.783 -2.762 -9.661) 11.129======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( 15.043 8.685 2.379) 17.532 1.245 ( 11.915 6.879 2.261) 13.943 2.200 ( 3.360 1.940 -1.626) 4.207 2.315 ( 6.742 3.893 -3.395) 8.493 2.676 ( 22.449 12.961 2.961) 26.091 3.365 ( 3.225 1.862 0.365) 3.741 5.185 ( 5.806 3.352 0.553) 6.727 5.911 ( -5.747 -3.318 -0.775) 6.681 6.024 ( -2.302 -1.329 -0.221) 2.668 6.591 ( 3.949 2.280 -7.204) 8.526 7.303 ( -11.613 -6.705 7.470) 15.350 7.949 ( -5.046 -2.913 -10.330) 11.860======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 11.965 6.908 -3.885) 14.352 1.561 ( 12.259 7.078 -0.579) 14.168 2.286 ( 4.425 2.555 -0.218) 5.114 2.451 ( 5.815 3.357 -2.369) 7.120 2.992 ( 5.114 2.952 -1.604) 6.119 3.568 ( 12.844 7.416 5.642) 15.868 5.313 ( 4.844 2.797 0.547) 5.620 5.802 ( -3.149 -1.818 -0.861) 3.737 5.999 ( 0.406 0.235 -0.257) 0.535 6.593 ( -1.520 -0.877 -4.105) 4.464 7.014 ( -14.984 -8.651 3.455) 17.644 7.847 ( -1.378 -0.795 -5.859) 6.071======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 11.719 6.766 -6.952) 15.214 1.787 ( 7.921 4.573 -2.374) 9.449 2.396 ( 4.822 2.784 1.061) 5.668 2.557 ( 3.835 2.214 -1.720) 4.751 2.996 ( -3.264 -1.884 1.212) 3.959 3.867 ( 10.380 5.993 4.044) 12.650 5.398 ( 2.448 1.413 0.414) 2.857 5.774 ( 1.059 0.611 -1.119) 1.658 6.041 ( 3.024 1.746 -0.144) 3.495 6.530 ( -2.738 -1.581 -1.025) 3.323 6.669 ( -14.586 -8.421 -1.301) 16.893 7.835 ( 0.710 0.410 -1.550) 1.753======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( 4.263 2.461 -2.804) 5.665 2.005 ( 11.081 6.398 -8.298) 15.251 2.494 ( 2.911 1.681 1.571) 3.711 2.608 ( 0.973 0.562 -1.817) 2.136 2.885 ( -6.373 -3.680 2.675) 7.830 4.049 ( 4.676 2.700 3.532) 6.452 5.434 ( 0.780 0.450 0.234) 0.930 5.836 ( 4.395 2.537 -1.535) 5.302 6.113 ( 2.715 1.568 0.028) 3.135 6.351 ( -11.493 -6.636 1.275) 13.333 6.505 ( -0.129 -0.075 -1.968) 1.973 7.851 ( 0.731 0.422 0.003) 0.844======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 1.743 1.006 -2.150) 2.945 2.210 ( 8.193 4.730 -7.256) 11.922 2.522 ( -1.040 -0.601 1.330) 1.792 2.595 ( -0.912 -0.527 -1.329) 1.696 2.749 ( -5.521 -3.187 0.950) 6.445 4.109 ( -0.479 -0.277 3.874) 3.914 5.441 ( -0.095 -0.055 0.128) 0.168 5.933 ( 2.655 1.533 -1.281) 3.322 6.146 ( 0.017 0.010 0.112) 0.114 6.165 ( -3.279 -1.893 0.216) 3.793 6.529 ( 2.250 1.299 0.893) 2.747 7.866 ( 0.661 0.382 0.515) 0.921======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( -0.681 -0.393 -0.427) 0.895 2.259 ( -3.941 -2.275 1.371) 4.753 2.452 ( -5.178 -2.989 0.216) 5.982 2.642 ( 1.145 0.661 -7.072) 7.195 2.647 ( 2.397 1.384 0.262) 2.780 4.038 ( -7.124 -4.113 3.183) 8.821 5.430 ( -1.066 -0.615 0.073) 1.233 5.890 ( -4.077 -2.354 0.690) 4.758 6.115 ( -2.613 -1.508 0.100) 3.018 6.244 ( 7.829 4.520 -2.702) 9.436 6.612 ( 4.632 2.674 1.885) 5.671 7.895 ( 1.778 1.027 1.635) 2.625======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( -5.254 -3.033 3.263) 6.889 2.092 ( -10.784 -6.226 6.252) 13.934 2.307 ( -6.426 -3.710 -2.649) 7.879 2.550 ( -4.190 -2.419 -1.611) 5.100 2.850 ( 10.848 6.263 -5.930) 13.859 3.785 ( -15.934 -9.200 1.406) 18.453 5.386 ( -2.922 -1.687 -0.041) 3.375 5.821 ( -1.609 -0.929 0.932) 2.079 6.047 ( -2.792 -1.612 0.083) 3.225 6.419 ( 7.736 4.466 -4.479) 9.992 6.754 ( 7.308 4.219 1.227) 8.527 7.967 ( 3.957 2.285 3.225) 5.593======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -12.964 -7.485 7.465) 16.728 1.821 ( -14.751 -8.516 7.651) 18.672 2.181 ( -3.055 -1.764 -5.624) 6.639 2.425 ( -6.868 -3.965 -1.299) 8.037 3.074 ( 9.789 5.651 -4.776) 12.271 3.327 ( -23.760 -13.718 0.663) 27.444 5.291 ( -5.274 -3.045 -0.287) 6.096 5.834 ( 2.445 1.412 0.546) 2.876 6.010 ( -0.235 -0.135 0.154) 0.312 6.550 ( 4.971 2.870 -5.540) 7.977 6.948 ( 9.281 5.359 0.660) 10.738 8.089 ( 5.439 3.140 3.204) 7.051======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( 0.000 18.474 13.500) 22.881 0.843 ( 0.000 16.191 18.251) 24.398 1.265 ( 0.000 22.451 29.299) 36.912 2.024 ( -0.000 -1.005 -6.582) 6.658 2.137 ( -0.000 6.971 -4.802) 8.465 3.467 ( -0.000 -10.755 -4.049) 11.492 4.954 ( -0.000 2.347 -0.039) 2.347 5.890 ( -0.000 41.171 -30.849) 51.446 6.149 ( -0.000 -2.049 -1.004) 2.281 6.162 ( 0.000 -2.197 0.128) 2.201 7.649 ( 0.000 -5.166 4.390) 6.780 8.198 ( -0.000 0.147 -5.616) 5.618======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.961 ( 1.043 22.135 7.323) 23.339 1.018 ( -0.740 14.674 18.864) 23.911 1.807 ( 21.327 21.253 16.647) 34.404 2.040 ( 5.169 -0.092 -5.181) 7.319 2.204 ( 0.547 9.284 -6.251) 11.206 3.354 ( -1.362 -4.002 -5.955) 7.303 5.020 ( 3.583 3.599 0.244) 5.084 6.069 ( -1.511 -4.697 -1.344) 5.114 6.113 ( -2.090 -2.463 -0.081) 3.231 6.270 ( 10.724 16.634 -18.891) 27.360 7.564 ( -3.705 -8.560 6.136) 11.165 8.140 ( -4.089 -0.812 -8.410) 9.386======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 2.255 15.214 13.366) 20.376 1.250 ( 5.363 18.305 1.666) 19.147 2.112 ( 7.567 1.100 -6.001) 9.720 2.267 ( 3.628 5.997 -1.097) 7.094 2.477 ( 19.739 19.654 4.518) 28.220 3.321 ( 2.269 -0.221 -2.824) 3.629 5.140 ( 4.915 5.325 0.527) 7.265 5.957 ( -4.469 -5.043 -0.872) 6.794 6.049 ( -2.380 -2.082 -0.054) 3.162 6.490 ( 7.524 4.670 -9.800) 13.208 7.401 ( -6.780 -10.436 7.533) 14.547 7.998 ( -6.862 -1.563 -10.112) 12.320======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 5.305 11.049 4.379) 13.015 1.536 ( 6.173 17.032 -0.253) 18.118 2.241 ( 5.832 4.308 -2.507) 7.672 2.381 ( 4.842 4.534 -2.915) 7.246 2.901 ( 10.330 7.702 -1.364) 12.957 3.453 ( 10.299 6.540 3.941) 12.821 5.286 ( 4.480 6.652 0.742) 8.054 5.834 ( -3.929 -3.685 -0.877) 5.458 6.004 ( -1.002 -0.438 -0.277) 1.128 6.561 ( 2.084 -1.207 -5.801) 6.281 7.163 ( -11.278 -11.129 5.512) 16.775 7.854 ( -3.850 -1.353 -7.404) 8.455======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 7.340 9.001 -0.776) 11.640 1.774 ( 4.520 13.011 -2.352) 13.973 2.380 ( 3.981 7.427 -0.204) 8.429 2.496 ( 4.980 2.511 -1.862) 5.880 3.007 ( 0.740 -0.472 -0.956) 1.298 3.755 ( 11.877 7.962 4.101) 14.875 5.412 ( 1.696 7.003 0.785) 7.248 5.762 ( -0.714 -1.531 -0.925) 1.926 6.014 ( 1.782 1.406 -0.340) 2.295 6.530 ( -0.654 -2.730 -4.137) 4.999 6.838 ( -14.831 -9.885 1.510) 17.887 7.803 ( 0.869 -1.704 -2.389) 3.061======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 6.604 6.566 -2.378) 9.611 1.942 ( 3.913 10.145 -4.884) 11.919 2.511 ( 1.689 7.939 1.316) 8.223 2.576 ( 2.801 0.907 -1.738) 3.419 2.957 ( -4.341 -2.313 0.846) 4.991 3.992 ( 7.155 4.191 3.241) 8.903 5.484 ( -1.498 6.915 0.577) 7.099 5.777 ( 3.267 0.327 -1.148) 3.478 6.078 ( 3.250 1.954 -0.108) 3.794 6.482 ( -2.589 -3.873 -5.588) 7.275 6.512 ( -10.925 -4.835 3.408) 12.424 7.812 ( 2.445 -2.436 -0.092) 3.453======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 1.739 4.282 -2.117) 5.084 2.109 ( 6.950 7.972 -7.026) 12.698 2.575 ( -1.993 2.358 1.486) 3.427 2.604 ( 0.092 2.265 -0.762) 2.392 2.839 ( -7.015 -0.787 0.268) 7.064 4.109 ( 2.439 0.940 3.771) 4.589 5.509 ( -3.369 6.716 0.373) 7.523 5.859 ( 5.390 0.590 -1.271) 5.569 6.144 ( 2.003 1.643 0.015) 2.591 6.249 ( -8.945 -3.891 -0.448) 9.765 6.499 ( 1.848 -0.142 0.522) 1.926 7.828 ( 2.454 -2.820 0.343) 3.754======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -0.703 2.277 -1.552) 2.844 2.253 ( 3.729 3.199 -5.279) 7.211 2.521 ( -4.055 -1.745 1.598) 4.695 2.623 ( 0.101 3.298 -0.333) 3.317 2.720 ( -7.534 2.429 -1.947) 8.152 4.113 ( -3.323 -1.865 3.815) 5.392 5.506 ( -4.449 5.873 0.304) 7.374 5.905 ( -0.049 -3.002 -0.255) 3.013 6.134 ( -2.218 -0.910 0.024) 2.397 6.198 ( 2.789 4.451 -1.491) 5.461 6.554 ( 4.167 0.360 1.475) 4.434 7.848 ( 3.088 -2.585 0.797) 4.105======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( -3.054 -1.434 0.556) 3.419 2.221 ( -6.416 -2.045 1.321) 6.862 2.418 ( -7.375 -0.615 -0.328) 7.408 2.602 ( -5.299 -1.296 -0.551) 5.483 2.739 ( 6.588 8.061 -5.150) 11.615 3.963 ( -11.799 -5.164 2.709) 13.161 5.471 ( -5.577 3.950 0.328) 6.842 5.841 ( -2.197 -2.606 0.520) 3.448 6.083 ( -3.006 -1.256 0.131) 3.260 6.333 ( 6.553 5.758 -3.805) 9.517 6.662 ( 6.966 1.364 1.441) 7.243 7.899 ( 5.104 -1.665 1.793) 5.660======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( -8.300 -7.838 5.162) 12.529 2.043 ( -12.360 -2.386 3.300) 13.013 2.269 ( -8.585 1.748 -3.475) 9.425 2.494 ( -5.334 -2.375 -0.516) 5.862 2.944 ( 9.646 6.312 -5.224) 12.656 3.617 ( -21.406 -8.142 2.080) 22.996 5.389 ( -7.217 1.262 0.294) 7.332 5.813 ( 0.797 -0.356 0.394) 0.958 6.026 ( -2.062 -0.402 0.009) 2.101 6.476 ( 5.616 4.133 -5.016) 8.589 6.827 ( 9.492 2.647 1.009) 9.906 8.000 ( 7.111 -0.685 1.848) 7.379======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 0.000 20.651 7.295) 21.902 1.280 ( 0.000 17.661 13.100) 21.989 1.914 ( 0.000 25.594 19.469) 32.157 1.962 ( -0.000 -0.581 -8.028) 8.049 2.280 ( -0.000 11.479 -8.217) 14.117 3.303 ( -0.000 -3.730 -5.724) 6.832 5.030 ( -0.000 5.225 0.172) 5.228 6.027 ( 0.000 -4.898 -1.035) 5.006 6.103 ( 0.000 -3.482 0.016) 3.482 6.292 ( -0.000 14.339 -14.750) 20.571 7.512 ( 0.000 -11.640 6.055) 13.121 8.147 ( -0.000 -0.465 -8.822) 8.835======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( -0.134 17.881 3.650) 18.250 1.468 ( -2.470 19.134 12.710) 23.103 1.978 ( 5.804 1.435 -8.439) 10.342 2.265 ( 5.246 8.643 7.120) 12.366 2.448 ( 8.366 22.185 -4.294) 24.095 3.275 ( 1.488 -0.082 -2.321) 2.758 5.124 ( 3.779 6.540 0.518) 7.571 5.956 ( -2.012 -5.662 -0.612) 6.040 6.057 ( -1.283 -2.894 -0.061) 3.166 6.405 ( 4.483 6.105 -9.197) 11.915 7.382 ( -2.686 -13.411 6.298) 15.058 8.066 ( -5.178 -0.894 -9.362) 10.736======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( -0.613 13.095 2.633) 13.371 1.674 ( 0.310 19.128 6.490) 20.201 2.131 ( 10.158 4.858 -5.196) 12.401 2.370 ( 2.004 5.277 -2.354) 6.116 2.812 ( 9.655 11.423 -2.510) 15.166 3.380 ( 7.258 7.737 3.663) 11.223 5.281 ( 5.311 8.209 1.023) 9.831 5.853 ( -3.320 -4.581 -0.852) 5.721 6.014 ( -1.013 -1.180 -0.374) 1.599 6.480 ( 3.463 -0.708 -5.706) 6.712 7.199 ( -5.371 -13.738 5.663) 15.800 7.915 ( -7.043 -1.182 -8.110) 10.806======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( 2.113 11.175 1.079) 11.424 1.868 ( 0.852 14.606 1.514) 14.709 2.356 ( 8.648 8.475 -1.495) 12.200 2.455 ( 2.912 4.892 -1.597) 5.913 2.961 ( 3.666 0.766 -2.686) 4.608 3.661 ( 10.589 10.733 3.874) 15.566 5.456 ( 3.848 9.463 1.474) 10.321 5.764 ( -2.131 -2.562 -0.984) 3.475 6.005 ( 0.521 0.855 -0.855) 1.317 6.478 ( 1.152 -3.584 -4.525) 5.886 6.956 ( -9.729 -11.953 3.050) 15.710 7.786 ( -3.170 -2.115 -4.128) 5.618======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( 3.844 10.046 0.157) 10.758 2.000 ( 0.541 10.336 -1.545) 10.465 2.523 ( 4.055 1.872 -0.929) 4.562 2.577 ( 2.542 10.452 0.986) 10.802 2.985 ( -0.031 0.253 -1.143) 1.171 3.916 ( 7.894 5.835 2.199) 10.060 5.591 ( 0.067 9.569 1.530) 9.691 5.735 ( 0.922 -0.307 -1.049) 1.430 6.043 ( 2.593 1.680 -0.938) 3.229 6.441 ( 0.447 -3.281 -4.170) 5.325 6.670 ( -11.952 -7.690 1.620) 14.304 7.738 ( 1.402 -3.776 -0.812) 4.109======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( 2.072 8.248 -0.481) 8.517 2.098 ( 1.953 8.023 -3.519) 8.976 2.574 ( 1.364 0.011 -1.227) 1.835 2.666 ( -1.268 2.667 3.076) 4.264 2.977 ( -4.820 7.926 -1.808) 9.451 4.064 ( 4.938 0.964 2.488) 5.613 5.659 ( -3.246 9.189 1.045) 9.801 5.778 ( 3.805 0.786 -0.940) 3.997 6.107 ( 3.411 0.722 -0.561) 3.532 6.354 ( -7.053 -3.900 -3.051) 8.617 6.492 ( -2.161 -0.680 1.719) 2.843 7.738 ( 3.248 -4.860 0.171) 5.848======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( -1.985 5.664 -0.838) 6.060 2.210 ( 3.823 5.675 -4.714) 8.309 2.558 ( -2.193 -1.860 0.254) 2.887 2.638 ( -1.025 -2.747 2.529) 3.872 2.953 ( -9.964 13.079 -2.459) 16.625 4.125 ( 1.412 -1.789 3.099) 3.846 5.671 ( -5.464 8.020 0.714) 9.731 5.847 ( 3.339 -1.039 -0.594) 3.547 6.166 ( 2.352 -0.143 -1.186) 2.638 6.211 ( -4.670 1.875 -0.284) 5.040 6.502 ( 1.953 -0.027 0.811) 2.115 7.750 ( 3.875 -5.064 0.308) 6.384======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( -4.567 1.788 -0.445) 4.925 2.270 ( -0.534 1.421 -3.323) 3.654 2.487 ( -3.080 -2.006 1.151) 3.852 2.629 ( 1.179 -1.470 1.943) 2.707 2.878 ( -11.211 12.077 -3.253) 16.796 4.080 ( -5.223 -3.385 2.543) 6.724 5.635 ( -6.814 5.457 0.838) 8.770 5.842 ( -0.908 -2.635 -0.150) 2.792 6.134 ( -3.224 0.883 0.096) 3.345 6.280 ( 4.770 5.259 -3.179) 7.779 6.562 ( 5.241 -0.503 1.372) 5.441 7.780 ( 5.314 -4.400 0.602) 6.926======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -7.403 -3.474 1.719) 8.356 2.195 ( -7.085 -1.090 -1.109) 7.254 2.418 ( -5.234 1.117 -0.478) 5.373 2.584 ( -6.737 -0.960 1.661) 7.005 2.879 ( 2.156 8.122 -3.561) 9.126 3.879 ( -14.717 -4.341 1.871) 15.458 5.551 ( -8.216 2.791 1.175) 8.756 5.801 ( -0.608 -1.455 -0.328) 1.610 6.077 ( -3.897 0.519 -0.340) 3.946 6.411 ( 5.398 4.796 -4.303) 8.406 6.687 ( 8.886 0.315 1.522) 9.021 7.854 ( 7.512 -3.307 0.313) 8.213======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -0.000 16.780 1.981) 16.896 1.695 ( 0.000 17.263 8.184) 19.105 1.905 ( -0.000 -0.084 -7.617) 7.618 2.324 ( 0.000 6.581 2.245) 6.954 2.584 ( -0.000 22.244 -3.855) 22.575 3.277 ( 0.000 4.476 1.795) 4.823 5.158 ( -0.000 7.153 0.538) 7.173 5.917 ( 0.000 -5.193 -0.263) 5.199 6.037 ( 0.000 -2.812 -0.203) 2.820 6.395 ( -0.000 3.470 -6.344) 7.231 7.280 ( 0.000 -14.958 5.084) 15.799 8.075 ( -0.000 -1.063 -8.806) 8.870======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( -2.787 11.376 -3.121) 12.121 1.884 ( -1.115 13.625 8.750) 16.231 1.986 ( 10.383 6.785 -6.555) 14.029 2.382 ( 1.207 4.235 -3.215) 5.452 2.796 ( 4.118 10.760 -2.186) 11.727 3.403 ( 3.488 13.192 5.513) 14.717 5.274 ( 4.624 7.704 0.851) 9.025 5.852 ( -1.921 -4.104 -0.636) 4.576 6.011 ( -0.315 -1.238 -0.363) 1.328 6.412 ( 1.711 -0.737 -3.770) 4.205 7.128 ( -1.820 -15.081 3.968) 15.700 7.990 ( -5.190 -1.342 -7.645) 9.337======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 0.646 8.850 -2.840) 9.317 1.999 ( 0.301 8.932 2.185) 9.200 2.275 ( 10.883 11.889 0.052) 16.118 2.449 ( 3.151 4.828 -2.824) 6.420 2.900 ( 2.876 0.809 -1.186) 3.214 3.655 ( 6.033 15.025 3.993) 16.676 5.460 ( 6.708 8.527 1.368) 10.935 5.777 ( -2.485 -2.318 -1.073) 3.564 6.005 ( 0.098 0.831 -0.915) 1.240 6.406 ( 1.319 -3.502 -2.652) 4.587 6.948 ( -3.764 -13.745 2.602) 14.487 7.846 ( -6.805 -1.617 -5.211) 8.722======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 3.431 8.975 -0.899) 9.650 2.088 ( 0.413 7.178 0.012) 7.190 2.478 ( 3.666 3.270 0.683) 4.960 2.617 ( 5.670 10.609 0.229) 12.031 2.950 ( 4.260 0.864 -0.705) 4.404 3.881 ( 4.646 9.030 1.322) 10.241 5.649 ( 3.950 7.529 1.997) 8.734 5.733 ( -0.322 0.971 -1.253) 1.618 6.024 ( 0.947 1.772 -1.705) 2.635 6.383 ( 1.212 -3.280 -2.389) 4.235 6.746 ( -6.349 -10.285 1.320) 12.158 7.718 ( -3.822 -2.662 -2.179) 5.142======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 3.538 8.633 -0.498) 9.343 2.158 ( -0.069 6.488 -0.335) 6.497 2.545 ( 2.011 0.879 -0.139) 2.199 2.700 ( -1.318 -1.354 2.213) 2.910 3.105 ( 3.798 13.776 -1.212) 14.341 3.998 ( 3.276 1.311 0.662) 3.590 5.717 ( 1.648 1.610 -0.063) 2.305 5.803 ( 0.009 7.467 0.981) 7.532 6.052 ( 2.026 -0.450 -1.742) 2.710 6.375 ( 0.284 -0.347 -2.462) 2.502 6.560 ( -6.089 -4.450 1.331) 7.658 7.651 ( 0.365 -4.346 -0.374) 4.378======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 0.335 7.595 -0.897) 7.655 2.215 ( 0.379 5.400 -0.835) 5.477 2.565 ( -0.097 -0.335 -0.560) 0.660 2.626 ( -2.073 -6.209 2.371) 6.962 3.252 ( -6.057 17.934 -1.651) 19.001 4.048 ( 4.345 -4.141 1.581) 6.207 5.777 ( 2.920 1.813 -0.196) 3.442 5.833 ( -3.725 4.567 0.520) 5.916 6.083 ( 4.261 -2.572 -0.996) 5.076 6.336 ( -5.244 3.626 -0.596) 6.403 6.495 ( -0.451 0.174 0.246) 0.543 7.633 ( 3.004 -5.367 0.063) 6.151======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( -5.862 4.621 -0.403) 7.476 2.272 ( 1.150 2.846 -2.509) 3.965 2.513 ( -2.163 -3.238 1.899) 4.332 2.590 ( 1.525 -2.068 1.042) 2.772 3.227 ( -14.071 13.730 -1.504) 19.718 4.074 ( 2.427 -4.557 1.460) 5.365 5.782 ( -5.351 1.512 0.561) 5.589 5.826 ( 0.887 0.379 -0.046) 0.966 6.139 ( 4.167 -1.164 -1.684) 4.643 6.314 ( -3.179 7.494 -0.025) 8.140 6.499 ( 1.294 -0.963 0.200) 1.625 7.647 ( 4.597 -4.816 0.053) 6.658======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( -8.708 -0.292 0.371) 8.721 2.264 ( -2.879 -0.189 -3.204) 4.311 2.477 ( -1.559 0.525 1.770) 2.417 2.619 ( 1.950 -0.960 2.335) 3.190 3.072 ( -13.917 7.466 -1.245) 15.842 4.021 ( -5.196 -3.021 0.601) 6.040 5.697 ( -5.890 0.468 1.214) 6.032 5.812 ( -1.975 -0.450 -0.330) 2.052 6.147 ( -2.503 0.245 -2.005) 3.216 6.376 ( 2.436 6.021 -2.354) 6.909 6.548 ( 6.497 -1.918 1.628) 6.967 7.700 ( 6.234 -3.124 -0.416) 6.985======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( -0.000 9.045 -6.459) 11.114 1.863 ( -0.000 1.042 -7.626) 7.696 2.061 ( 0.000 14.650 6.063) 15.855 2.397 ( -0.000 3.604 -3.401) 4.955 2.849 ( -0.000 5.417 1.458) 5.610 3.552 ( -0.000 18.308 5.739) 19.186 5.301 ( -0.000 6.372 0.666) 6.407 5.833 ( 0.000 -2.804 -0.906) 2.946 6.005 ( -0.000 0.149 -0.317) 0.351 6.379 ( -0.000 -1.949 -1.346) 2.369 7.002 ( 0.000 -14.840 2.005) 14.975 7.999 ( -0.000 -1.671 -6.560) 6.769======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( -0.772 4.774 -6.092) 7.779 1.981 ( 6.618 2.154 -6.328) 9.407 2.265 ( 6.067 14.041 3.440) 15.677 2.439 ( 1.563 3.883 -1.588) 4.477 2.886 ( 0.059 0.008 3.258) 3.258 3.768 ( 1.759 17.511 3.552) 17.954 5.416 ( 6.153 5.567 0.699) 8.327 5.793 ( -1.736 -1.135 -1.425) 2.517 6.015 ( -0.001 2.094 -0.447) 2.141 6.355 ( 0.324 -3.317 0.229) 3.340 6.856 ( -1.157 -13.303 0.449) 13.361 7.920 ( -4.817 -1.672 -4.857) 7.042======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 4.063 6.139 -2.627) 7.817 2.084 ( 5.181 1.941 -3.613) 6.608 2.475 ( 1.916 4.523 1.824) 5.240 2.584 ( 10.013 10.533 -0.709) 14.550 2.887 ( 1.650 -2.141 3.328) 4.287 3.948 ( 0.685 12.058 0.861) 12.109 5.608 ( 8.729 5.178 0.913) 10.190 5.753 ( -1.696 0.759 -1.615) 2.462 6.039 ( -0.258 3.160 -0.988) 3.320 6.328 ( 0.699 -3.514 0.739) 3.658 6.708 ( -2.120 -10.717 -0.342) 10.930 7.789 ( -6.699 -1.445 -2.753) 7.385======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 5.174 6.582 -0.735) 8.405 2.179 ( 3.867 3.154 -1.243) 5.143 2.530 ( 1.202 1.645 0.859) 2.211 2.714 ( -1.637 -1.613 1.283) 2.632 3.065 ( 13.979 9.428 1.134) 16.899 4.020 ( -2.182 4.908 -0.646) 5.410 5.722 ( -0.065 2.215 -0.383) 2.249 5.814 ( 5.898 3.969 0.415) 7.121 6.047 ( -1.618 1.525 -1.560) 2.716 6.336 ( 3.067 -0.742 0.188) 3.161 6.578 ( -2.479 -6.709 -0.017) 7.153 7.662 ( -5.241 -1.817 -1.019) 5.640======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( 3.809 5.351 -0.769) 6.613 2.268 ( 1.900 4.842 0.224) 5.206 2.557 ( 0.670 0.234 0.305) 0.772 2.617 ( -4.152 -6.379 0.933) 7.668 3.410 ( 9.699 14.715 0.178) 17.625 3.974 ( -3.123 -3.483 -0.346) 4.691 5.755 ( 1.405 2.535 -0.354) 2.920 5.914 ( 1.335 2.657 1.025) 3.146 6.005 ( -1.238 -2.478 -1.280) 3.052 6.404 ( 1.959 3.172 -0.701) 3.793 6.505 ( -0.865 -1.777 0.579) 2.060 7.575 ( -1.820 -2.866 -0.189) 3.401======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( 1.485 3.809 -1.671) 4.417 2.321 ( -3.338 5.229 0.816) 6.257 2.488 ( -0.997 -7.685 1.329) 7.863 2.563 ( 0.206 -0.227 -0.007) 0.306 3.585 ( -10.226 14.725 -0.538) 17.935 3.918 ( 7.370 -8.969 0.443) 11.617 5.800 ( 1.121 0.820 -0.273) 1.416 5.894 ( -4.886 1.629 0.759) 5.206 6.020 ( 5.917 -2.288 -1.072) 6.433 6.434 ( -1.600 3.813 0.740) 4.200 6.495 ( -1.113 0.145 -0.686) 1.315 7.548 ( 1.983 -2.618 -0.046) 3.284======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( -9.348 0.101 -0.273) 9.353 2.285 ( -0.875 0.237 -2.275) 2.449 2.490 ( 2.380 0.010 3.305) 4.073 2.572 ( 1.655 -0.501 0.446) 1.786 3.397 ( -17.163 1.724 0.315) 17.252 3.999 ( 4.562 -1.610 -0.610) 4.876 5.777 ( -3.555 -0.100 -0.352) 3.574 5.849 ( -2.141 -0.062 1.299) 2.505 6.109 ( 5.012 0.028 -2.897) 5.789 6.448 ( -3.277 4.352 -0.155) 5.450 6.453 ( 1.479 -3.832 0.855) 4.196 7.589 ( 4.363 -0.276 -0.358) 4.386======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( -0.000 1.432 -4.292) 4.525 1.877 ( -0.000 2.053 -10.479) 10.678 2.345 ( -0.000 10.950 2.744) 11.289 2.466 ( -0.000 3.978 0.485) 4.008 2.893 ( 0.000 -2.038 5.083) 5.476 3.933 ( -0.000 15.838 2.027) 15.967 5.400 ( -0.000 3.198 0.365) 3.218 5.800 ( -0.000 0.468 -1.866) 1.924 6.043 ( -0.000 3.473 -0.183) 3.478 6.324 ( 0.000 -3.660 2.465) 4.413 6.742 ( 0.000 -10.944 -1.615) 11.063 7.932 ( -0.000 -1.755 -3.739) 4.131======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( 2.731 3.911 -2.898) 5.582 1.954 ( 7.477 0.054 -5.816) 9.472 2.500 ( 2.293 5.480 1.879) 6.230 2.521 ( 5.562 6.416 0.261) 8.495 2.871 ( -0.858 -3.802 4.782) 6.169 4.071 ( -0.534 11.337 0.018) 11.349 5.494 ( 7.524 2.271 0.170) 7.861 5.792 ( -1.604 1.993 -1.784) 3.119 6.079 ( -0.187 3.903 -0.241) 3.914 6.293 ( -0.079 -4.340 3.179) 5.381 6.634 ( -0.959 -7.636 -2.493) 8.089 7.868 ( -4.314 -1.272 -2.306) 5.054======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 5.911 5.082 -0.170) 7.797 2.080 ( 8.168 0.539 -2.344) 8.515 2.538 ( 0.315 1.489 1.147) 1.906 2.718 ( 2.556 1.677 -0.600) 3.115 2.888 ( 10.434 0.616 3.766) 11.110 4.127 ( -2.980 6.184 -1.347) 6.996 5.676 ( 9.895 1.773 0.008) 10.053 5.782 ( -1.360 2.904 -1.206) 3.426 6.101 ( -1.576 3.002 -0.361) 3.410 6.269 ( 1.992 -4.025 2.409) 5.096 6.547 ( -1.414 -4.175 -1.769) 4.749 7.757 ( -6.560 -0.557 -1.034) 6.665======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( 5.416 3.587 0.599) 6.524 2.217 ( 6.689 1.697 -0.695) 6.936 2.553 ( 0.247 0.078 0.658) 0.707 2.650 ( -4.924 -3.875 -0.213) 6.270 3.221 ( 19.783 3.926 1.390) 20.217 4.078 ( -7.024 1.916 -1.369) 7.409 5.777 ( -0.361 3.233 -0.221) 3.261 5.841 ( 5.909 -1.014 -0.202) 5.998 6.072 ( -4.299 1.693 0.100) 4.622 6.326 ( 7.130 -1.061 0.415) 7.220 6.499 ( -0.756 -1.229 -0.179) 1.454 7.637 ( -6.422 -0.312 -0.275) 6.435======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( 3.491 2.255 1.238) 4.336 2.328 ( 5.520 -0.188 -0.723) 5.571 2.499 ( -6.467 -3.522 -0.871) 7.415 2.563 ( -0.372 0.062 -0.011) 0.377 3.581 ( 18.392 -1.147 0.399) 18.432 3.922 ( -11.963 1.474 -0.325) 12.058 5.798 ( 0.281 1.075 0.256) 1.140 5.903 ( 4.038 -2.794 -1.044) 5.020 6.008 ( -4.948 3.174 1.299) 6.020 6.443 ( 3.926 1.036 -1.021) 4.187 6.488 ( 0.850 -1.221 0.929) 1.754 7.547 ( -3.268 0.326 0.039) 3.284======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( -0.615 -1.065 -0.000) 1.229 2.322 ( -3.006 -5.207 -0.000) 6.013 2.437 ( 2.105 3.646 0.000) 4.210 2.564 ( 0.162 0.281 -0.000) 0.324 3.601 ( -8.090 -14.013 -0.000) 16.181 3.905 ( 4.917 8.517 -0.000) 9.834 5.809 ( 0.132 0.229 -0.000) 0.265 5.882 ( -1.931 -3.345 -0.000) 3.863 6.037 ( 2.684 4.648 0.000) 5.368 6.424 ( -2.302 -3.987 0.000) 4.604 6.506 ( -0.026 -0.045 -0.000) 0.052 7.549 ( 1.604 2.778 -0.000) 3.207======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -0.000 1.799 -0.796) 1.968 1.868 ( -0.000 2.893 -3.127) 4.260 2.519 ( -0.000 5.482 0.459) 5.501 2.534 ( 0.000 1.904 1.389) 2.357 2.851 ( 0.000 -4.653 3.628) 5.901 4.171 ( -0.000 7.792 -1.327) 7.904 5.439 ( -0.000 0.914 0.032) 0.914 5.828 ( -0.000 3.230 -1.345) 3.499 6.116 ( -0.000 3.276 -0.089) 3.277 6.256 ( 0.000 -5.474 3.269) 6.376 6.580 ( -0.000 -3.288 -3.026) 4.469 7.888 ( -0.000 -0.939 -1.456) 1.732======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 4.637 1.698 -0.776) 4.999 1.957 ( 6.215 4.707 2.807) 8.286 2.550 ( -0.038 0.513 1.216) 1.320 2.630 ( 7.873 2.789 -0.846) 8.395 2.804 ( -0.379 -4.896 2.354) 5.446 4.210 ( -1.395 3.573 -2.360) 4.504 5.519 ( 8.078 0.437 -0.189) 8.092 5.844 ( -1.762 3.537 -0.355) 3.967 6.142 ( -0.149 2.082 0.034) 2.088 6.210 ( 0.365 -5.216 1.762) 5.518 6.544 ( -1.372 -0.228 -1.972) 2.414 7.844 ( -3.919 -0.086 -0.661) 3.975======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 6.617 0.217 0.316) 6.628 2.132 ( 6.181 4.589 3.332) 8.388 2.550 ( -0.061 -0.864 0.622) 1.066 2.686 ( -2.787 -2.280 -2.115) 4.177 2.910 ( 16.918 -1.541 1.889) 17.093 4.179 ( -3.545 0.212 -2.296) 4.229 5.686 ( 10.007 -0.579 -0.679) 10.047 5.836 ( -2.289 1.945 0.509) 3.046 6.145 ( -1.691 1.166 0.885) 2.237 6.205 ( 3.958 -2.074 0.323) 4.480 6.518 ( -1.766 1.286 -0.713) 2.299 7.754 ( -6.521 0.669 -0.173) 6.558======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( 6.710 -2.445 0.968) 7.207 2.252 ( 3.195 1.439 1.700) 3.894 2.528 ( -0.902 -2.497 -1.211) 2.918 2.603 ( -3.545 0.426 -1.687) 3.949 3.215 ( 19.535 -5.123 1.080) 20.224 4.086 ( -5.958 -0.581 -1.030) 6.075 5.786 ( 2.745 -3.610 -0.355) 4.549 5.827 ( 1.237 0.939 -0.228) 1.570 6.120 ( -3.304 2.341 2.184) 4.601 6.315 ( 8.605 0.576 -0.249) 8.628 6.501 ( -1.894 1.085 -0.112) 2.186 7.647 ( -6.575 1.468 0.115) 6.738======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 0.000 1.795 1.931) 2.637 1.981 ( 0.000 7.281 6.579) 9.813 2.554 ( 0.000 -0.606 1.146) 1.297 2.562 ( -0.000 -0.967 -1.089) 1.456 2.768 ( 0.000 -4.462 -0.279) 4.471 4.228 ( -0.000 -0.467 -3.304) 3.337 5.446 ( -0.000 -0.108 -0.126) 0.166 5.895 ( 0.000 2.576 1.039) 2.778 6.150 ( -0.000 0.019 -0.114) 0.116 6.167 ( 0.000 -2.959 0.042) 2.960 6.564 ( -0.000 2.190 -1.177) 2.486 7.880 ( -0.000 0.801 -0.321) 0.863======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 3.317 0.704 2.087) 3.981 2.120 ( 3.608 6.588 7.777) 10.812 2.538 ( -0.094 -2.564 -0.005) 2.565 2.626 ( 9.085 -1.587 -0.690) 9.248 2.715 ( -0.344 -4.071 -1.289) 4.284 4.185 ( -0.797 -4.312 -3.397) 5.547 5.513 ( 7.748 -0.852 -0.402) 7.805 5.888 ( -2.142 -0.681 1.361) 2.627 6.139 ( 0.193 -1.946 -0.367) 1.990 6.177 ( 1.326 2.509 0.593) 2.899 6.574 ( -1.799 3.560 -0.581) 4.031 7.858 ( -3.962 1.755 -0.193) 4.337======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( 4.405 -2.570 1.131) 5.223 2.232 ( 2.308 1.324 4.591) 5.306 2.500 ( -0.066 -3.719 -1.418) 3.980 2.651 ( -2.197 0.454 -2.867) 3.640 2.851 ( 16.866 -4.363 2.361) 17.581 4.103 ( -1.066 -6.594 -2.295) 7.063 5.645 ( 8.383 -3.016 -1.142) 8.982 5.838 ( -1.801 -1.985 0.854) 2.813 6.133 ( 1.749 -2.363 0.374) 2.963 6.254 ( 2.361 5.711 2.250) 6.576 6.571 ( -3.005 4.496 -0.695) 5.452 7.784 ( -6.702 2.458 -0.078) 7.139======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 0.000 1.000 2.614) 2.799 2.180 ( 0.000 4.347 9.048) 10.038 2.470 ( 0.000 -7.211 -1.537) 7.373 2.541 ( 0.000 -0.709 2.585) 2.680 2.692 ( -0.000 -0.793 -3.628) 3.714 4.110 ( -0.000 -9.343 -3.881) 10.117 5.432 ( 0.000 -1.238 -0.219) 1.257 5.889 ( 0.000 -3.398 0.858) 3.505 6.116 ( 0.000 -3.095 -0.069) 3.095 6.207 ( -0.000 6.437 1.016) 6.516 6.633 ( -0.000 5.106 -0.350) 5.118 7.916 ( -0.000 3.028 -0.487) 3.067======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 0.661 -1.742 1.110) 2.169 2.211 ( 1.016 -3.483 3.323) 4.920 2.424 ( 3.108 -7.956 -1.506) 8.673 2.586 ( 4.610 -4.608 2.892) 7.131 2.712 ( 1.765 7.583 0.090) 7.786 3.991 ( 1.058 -13.332 -3.213) 13.755 5.475 ( 6.491 -2.840 -0.537) 7.105 5.843 ( -1.339 -2.950 0.185) 3.245 6.084 ( 0.445 -3.352 -0.113) 3.384 6.299 ( 1.381 7.622 3.186) 8.376 6.671 ( -2.090 6.629 -0.610) 6.978 7.911 ( -4.266 3.915 -0.760) 5.840======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -0.000 -3.283 -1.326) 3.541 2.132 ( 0.000 -10.372 -1.991) 10.562 2.287 ( 0.000 -9.651 1.401) 9.752 2.532 ( 0.000 -3.951 2.282) 4.563 2.801 ( 0.000 11.637 3.950) 12.289 3.806 ( 0.000 -19.139 -3.034) 19.378 5.387 ( 0.000 -3.465 -0.150) 3.468 5.828 ( 0.000 -1.796 -0.530) 1.873 6.047 ( 0.000 -3.220 -0.005) 3.220 6.378 ( 0.000 8.096 4.213) 9.127 6.762 ( -0.000 8.250 -0.589) 8.271 7.990 ( -0.000 5.028 -1.660) 5.295======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 0.000 -0.000 21.912) 21.912 0.665 ( 0.000 -0.000 21.912) 21.912 1.130 ( 0.000 -0.000 38.349) 38.349 2.032 ( -0.000 0.000 -6.105) 6.105 2.032 ( -0.000 0.000 -6.105) 6.105 3.741 ( -0.000 0.000 -15.966) 15.966 4.937 ( 0.000 0.000 0.126) 0.126 4.937 ( 0.000 -0.000 0.126) 0.126 6.183 ( 0.000 -0.000 0.083) 0.083 6.183 ( 0.000 -0.000 0.083) 0.083 7.700 ( 0.000 -0.000 3.744) 3.744 8.196 ( -0.000 0.000 -1.461) 1.461======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.720 ( 5.070 2.927 18.169) 19.089 0.898 ( 6.126 3.537 23.329) 24.378 1.516 ( 22.008 12.706 24.035) 34.978 2.031 ( 3.232 1.866 -6.706) 7.674 2.059 ( 2.346 1.355 -5.474) 6.108 3.432 ( -8.979 -5.184 -7.702) 12.916 4.975 ( 2.785 1.608 0.184) 3.221 5.721 ( 38.864 22.438 -24.829) 51.287 6.147 ( -3.221 -1.860 -0.183) 3.724 6.155 ( -2.214 -1.278 0.049) 2.557 7.681 ( -3.265 -1.885 4.573) 5.927 8.151 ( -3.409 -1.968 -4.487) 5.969======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 11.569 6.679 11.151) 17.401 1.099 ( 6.055 3.496 17.808) 19.132 2.069 ( 14.643 8.454 -10.390) 19.845 2.106 ( 3.160 1.824 -4.622) 5.888 2.200 ( 18.130 10.468 14.903) 25.698 3.311 ( -0.539 -0.311 -7.029) 7.056 5.063 ( 4.809 2.776 0.170) 5.555 6.041 ( -5.566 -3.214 -0.725) 6.468 6.090 ( -3.193 -1.844 0.012) 3.687 6.287 ( 18.147 10.477 -15.376) 25.990 7.576 ( -7.509 -4.336 7.511) 11.472 8.015 ( -6.172 -3.564 -9.191) 11.631======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 12.886 7.440 5.837) 15.984 1.293 ( 7.575 4.373 7.747) 11.684 2.176 ( 4.168 2.406 -3.402) 5.894 2.262 ( 8.587 4.958 -7.178) 12.241 2.718 ( 18.148 10.478 5.055) 21.557 3.360 ( 6.630 3.828 -1.213) 7.751 5.189 ( 5.877 3.393 0.207) 6.790 5.904 ( -5.750 -3.320 -0.639) 6.670 6.023 ( -2.360 -1.363 -0.061) 2.726 6.517 ( 5.984 3.455 -8.095) 10.643 7.374 ( -12.742 -7.357 7.398) 16.468 7.857 ( -3.845 -2.220 -8.953) 9.993======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 9.316 5.378 0.587) 10.773 1.567 ( 10.708 6.182 1.920) 12.513 2.277 ( 5.322 3.073 -1.679) 6.371 2.423 ( 6.704 3.871 -3.433) 8.468 2.980 ( 5.053 2.917 -1.172) 5.951 3.612 ( 13.324 7.693 3.661) 15.815 5.317 ( 4.881 2.818 0.306) 5.644 5.795 ( -3.213 -1.855 -0.464) 3.739 5.997 ( 0.390 0.225 -0.134) 0.470 6.547 ( -0.503 -0.290 -5.466) 5.496 7.042 ( -16.772 -9.683 2.317) 19.505 7.806 ( 0.468 0.270 -2.770) 2.822======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 10.118 5.842 -3.669) 12.246 1.771 ( 7.043 4.066 -0.901) 8.182 2.402 ( 5.466 3.156 0.130) 6.313 2.537 ( 4.012 2.316 -2.335) 5.188 3.001 ( -2.250 -1.299 -0.091) 2.599 3.902 ( 10.152 5.861 3.439) 12.217 5.402 ( 2.409 1.391 0.313) 2.799 5.766 ( 0.839 0.484 -0.582) 1.130 6.040 ( 3.079 1.778 -0.078) 3.557 6.504 ( -1.351 -0.780 -4.348) 4.620 6.668 ( -15.446 -8.918 1.041) 17.866 7.829 ( 1.303 0.752 0.288) 1.532======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 4.070 2.350 -2.330) 5.245 1.933 ( 10.176 5.875 -6.831) 13.591 2.507 ( 3.125 1.804 1.236) 3.814 2.589 ( 1.113 0.643 -2.132) 2.490 2.901 ( -6.067 -3.503 0.633) 7.034 4.085 ( 4.862 2.807 3.999) 6.893 5.436 ( 0.731 0.422 0.219) 0.872 5.823 ( 4.140 2.390 -1.029) 4.890 6.113 ( 2.766 1.597 0.068) 3.194 6.349 ( -10.722 -6.191 -1.674) 12.494 6.500 ( 0.246 0.142 0.992) 1.031 7.854 ( 0.748 0.432 0.637) 1.073======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 2.083 1.202 -2.575) 3.523 2.134 ( 9.152 5.284 -8.654) 13.659 2.536 ( -1.201 -0.693 1.544) 2.075 2.581 ( -0.913 -0.527 -1.572) 1.893 2.758 ( -5.990 -3.458 0.825) 6.966 4.149 ( -0.567 -0.327 4.568) 4.614 5.443 ( -0.118 -0.068 0.159) 0.209 5.920 ( 3.098 1.789 -1.483) 3.873 6.148 ( 0.021 0.012 0.140) 0.143 6.167 ( -3.754 -2.168 0.132) 4.337 6.539 ( 2.659 1.535 1.246) 3.313 7.872 ( 0.838 0.484 0.563) 1.119======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.353 0.204 -1.749) 1.796 2.245 ( 0.598 0.345 -4.431) 4.485 2.458 ( -5.901 -3.407 1.038) 6.893 2.578 ( 1.721 0.994 -5.431) 5.783 2.663 ( -1.049 -0.606 2.418) 2.705 4.072 ( -7.750 -4.475 3.951) 9.783 5.431 ( -1.088 -0.628 0.162) 1.266 5.893 ( -3.561 -2.056 -0.045) 4.112 6.115 ( -2.638 -1.523 0.094) 3.047 6.221 ( 6.751 3.898 -2.016) 8.052 6.626 ( 4.628 2.672 1.129) 5.463 7.908 ( 2.351 1.357 1.187) 2.962======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( 0.000 12.987 17.199) 21.551 1.010 ( 0.000 13.878 16.877) 21.850 1.543 ( 0.000 16.811 29.011) 33.530 1.956 ( -0.000 -1.357 -7.802) 7.919 2.084 ( -0.000 6.863 -6.365) 9.360 3.404 ( -0.000 -10.458 -9.280) 13.982 4.955 ( -0.000 2.338 0.187) 2.346 5.648 ( -0.000 42.142 -20.714) 46.958 6.143 ( 0.000 -3.388 -0.373) 3.409 6.163 ( 0.000 -2.206 0.051) 2.207 7.691 ( 0.000 -4.228 4.588) 6.239 8.151 ( -0.000 -2.543 -4.537) 5.201======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 0.265 17.163 10.982) 20.377 1.202 ( -0.445 12.207 19.716) 23.193 1.889 ( 8.562 8.595 -2.930) 12.481 2.051 ( 13.812 10.611 9.089) 19.647 2.144 ( 1.055 7.558 -4.829) 9.030 3.286 ( -0.908 -2.841 -8.415) 8.928 5.023 ( 3.632 3.683 0.238) 5.178 6.042 ( 4.987 4.347 -6.186) 9.057 6.104 ( 1.103 3.404 -4.124) 5.460 6.129 ( 3.246 6.373 -6.397) 9.595 7.623 ( -2.962 -7.836 6.452) 10.574 8.063 ( -4.983 -2.470 -7.982) 9.728======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 4.348 15.389 5.069) 16.776 1.356 ( -1.317 12.627 15.834) 20.295 2.047 ( 9.817 1.924 -7.619) 12.575 2.222 ( 2.370 8.496 -7.311) 11.456 2.545 ( 17.887 14.062 8.462) 24.275 3.289 ( 4.302 2.605 -3.958) 6.400 5.144 ( 4.912 5.573 0.289) 7.435 5.950 ( -4.460 -5.088 -0.651) 6.798 6.049 ( -2.447 -2.161 0.011) 3.265 6.400 ( 9.225 7.074 -9.096) 14.761 7.474 ( -6.611 -11.040 8.001) 15.153 7.904 ( -6.778 -1.232 -9.800) 11.980======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 3.495 9.439 3.694) 10.722 1.563 ( 3.510 15.646 6.275) 17.219 2.212 ( 7.339 4.735 -3.641) 9.462 2.345 ( 5.443 6.003 -4.337) 9.191 2.892 ( 9.076 5.424 -0.829) 10.606 3.482 ( 11.688 8.280 2.220) 14.494 5.292 ( 4.422 7.011 0.441) 8.301 5.828 ( -3.866 -3.804 -0.435) 5.441 6.002 ( -1.020 -0.617 -0.169) 1.204 6.505 ( 2.694 -0.347 -6.053) 6.634 7.209 ( -13.056 -12.074 3.997) 18.227 7.796 ( -1.618 -0.416 -4.581) 4.876======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 5.404 8.949 1.000) 10.502 1.768 ( 2.823 11.845 1.151) 12.231 2.373 ( 4.965 8.029 -1.248) 9.523 2.476 ( 5.115 3.169 -2.354) 6.461 2.995 ( 1.694 -0.312 -1.518) 2.296 3.788 ( 11.762 7.687 2.747) 14.317 5.419 ( 1.522 7.334 0.565) 7.512 5.757 ( -0.749 -1.738 -0.270) 1.912 6.011 ( 1.907 1.229 -0.254) 2.283 6.486 ( -0.172 -2.384 -4.965) 5.510 6.851 ( -15.579 -9.913 1.046) 18.495 7.791 ( 2.087 -1.536 0.004) 2.591======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 5.591 7.424 -1.161) 9.366 1.907 ( 2.028 9.316 -2.501) 9.857 2.521 ( 2.192 8.550 0.654) 8.850 2.558 ( 2.673 1.233 -2.054) 3.589 2.956 ( -3.708 -2.519 -0.867) 4.566 4.022 ( 7.595 3.987 3.065) 9.109 5.489 ( -1.713 7.130 0.491) 7.350 5.769 ( 3.079 0.160 -0.427) 3.112 6.077 ( 3.429 1.884 -0.099) 3.914 6.428 ( -3.632 -3.838 -5.805) 7.850 6.545 ( -8.902 -4.402 3.538) 10.542 7.815 ( 2.604 -2.601 0.908) 3.791======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 1.220 4.740 -1.658) 5.168 2.046 ( 5.560 8.542 -6.293) 11.978 2.576 ( -0.374 -0.137 -1.083) 1.153 2.607 ( -1.367 6.140 1.254) 6.414 2.836 ( -6.532 -1.973 -0.870) 6.879 4.146 ( 2.871 0.696 4.016) 4.985 5.513 ( -3.516 6.873 0.381) 7.730 5.849 ( 5.164 0.681 -0.853) 5.279 6.143 ( 1.967 1.415 -0.085) 2.424 6.240 ( -7.757 -3.733 -1.242) 8.698 6.508 ( 1.758 -0.163 1.500) 2.316 7.832 ( 2.442 -2.927 0.550) 3.851======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( -0.607 2.873 -2.084) 3.601 2.192 ( 4.786 5.078 -7.363) 10.144 2.534 ( -3.445 -1.773 0.966) 3.993 2.622 ( -2.651 5.792 0.131) 6.371 2.710 ( -6.319 -0.671 -0.157) 6.357 4.150 ( -3.396 -2.391 3.984) 5.755 5.509 ( -4.544 6.050 0.393) 7.577 5.899 ( 0.420 -2.500 -0.908) 2.692 6.136 ( -2.011 -0.850 0.261) 2.199 6.185 ( 1.947 3.349 -1.158) 4.043 6.566 ( 4.249 0.385 1.108) 4.408 7.854 ( 3.406 -2.519 0.548) 4.272======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 0.000 16.946 10.233) 19.796 1.392 ( 0.000 15.736 10.185) 18.745 1.888 ( -0.000 -0.526 -7.349) 7.368 2.093 ( 0.000 23.520 15.513) 28.175 2.197 ( -0.000 7.941 -6.997) 10.583 3.242 ( -0.000 -1.189 -7.054) 7.154 5.033 ( -0.000 5.290 0.495) 5.314 6.018 ( -0.000 -2.708 -0.962) 2.874 6.103 ( 0.000 -3.536 -0.120) 3.538 6.168 ( -0.000 16.695 -11.428) 20.232 7.572 ( 0.000 -11.462 6.588) 13.221 8.062 ( -0.000 -1.495 -9.181) 9.302======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -1.289 15.019 3.441) 15.462 1.594 ( -0.612 16.233 13.156) 20.903 1.898 ( 5.690 2.071 -8.097) 10.110 2.254 ( 0.857 7.652 -8.617) 11.555 2.474 ( 11.074 18.741 8.778) 23.471 3.252 ( 2.211 4.032 -2.657) 5.311 5.129 ( 3.833 6.695 0.623) 7.740 5.951 ( -2.216 -5.649 -0.364) 6.079 6.056 ( -1.256 -3.001 -0.147) 3.257 6.327 ( 5.036 8.924 -7.168) 12.505 7.445 ( -2.337 -14.240 6.946) 16.015 7.974 ( -5.175 -0.495 -9.998) 11.268======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 0.644 11.108 -0.279) 11.131 1.761 ( -2.466 16.374 10.801) 19.770 2.082 ( 11.789 6.193 -5.112) 14.264 2.331 ( 2.628 6.562 -5.590) 9.012 2.801 ( 8.335 8.416 -0.110) 11.845 3.409 ( 7.874 10.430 2.434) 13.293 5.289 ( 5.378 8.518 0.783) 10.104 5.846 ( -3.358 -4.691 -0.534) 5.794 6.010 ( -1.094 -1.427 -0.349) 1.832 6.431 ( 3.395 0.601 -4.496) 5.666 7.251 ( -5.866 -15.064 5.258) 16.999 7.842 ( -5.759 -0.047 -7.273) 9.277======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 2.882 10.157 0.187) 10.559 1.899 ( -1.309 12.721 4.851) 13.677 2.343 ( 9.220 10.253 -1.341) 13.854 2.433 ( 3.680 5.499 -2.829) 7.196 2.939 ( 3.954 1.068 -2.078) 4.593 3.691 ( 10.097 10.390 2.394) 14.685 5.468 ( 3.833 9.907 1.031) 10.673 5.757 ( -2.068 -2.818 -0.388) 3.517 5.997 ( 0.541 0.456 -0.658) 0.966 6.438 ( 0.865 -2.832 -3.901) 4.897 6.979 ( -10.742 -12.424 1.864) 16.529 7.757 ( -1.296 -1.780 -2.114) 3.052======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 3.657 9.747 0.347) 10.416 1.998 ( -1.043 9.734 1.032) 9.844 2.514 ( 3.515 2.199 -1.086) 4.287 2.583 ( 3.441 11.960 0.174) 12.446 2.970 ( 0.150 0.128 -2.031) 2.040 3.935 ( 8.172 5.333 1.718) 9.908 5.603 ( -0.229 10.014 1.125) 10.080 5.729 ( 0.979 -0.617 -0.243) 1.182 6.036 ( 2.914 1.286 -0.664) 3.254 6.402 ( -0.091 -2.789 -3.985) 4.865 6.684 ( -11.480 -7.514 1.328) 13.784 7.737 ( 2.143 -4.010 0.427) 4.567======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 1.825 8.328 -0.171) 8.527 2.073 ( 0.046 8.380 -1.786) 8.568 2.562 ( 1.205 0.388 -1.350) 1.851 2.691 ( -0.850 3.383 2.259) 4.156 2.955 ( -4.839 7.591 -2.911) 9.461 4.088 ( 5.663 0.574 2.572) 6.246 5.668 ( -3.530 9.362 0.850) 10.042 5.773 ( 3.736 0.697 -0.239) 3.808 6.102 ( 3.633 0.383 -0.414) 3.676 6.324 ( -5.615 -2.498 -3.232) 6.944 6.510 ( -2.878 -1.621 2.042) 3.883 7.741 ( 3.299 -5.105 0.574) 6.105======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -2.517 5.972 -0.687) 6.517 2.168 ( 2.649 6.721 -4.237) 8.375 2.556 ( -1.224 -1.032 -0.504) 1.679 2.663 ( -1.274 -3.305 2.684) 4.444 2.930 ( -10.010 13.319 -2.378) 16.830 4.154 ( 1.729 -2.410 2.968) 4.196 5.679 ( -5.538 8.153 0.778) 9.886 5.841 ( 3.287 -0.896 -0.611) 3.462 6.155 ( 2.157 -0.444 -1.138) 2.479 6.208 ( -4.383 2.022 -0.350) 4.839 6.510 ( 2.120 -0.394 0.853) 2.319 7.752 ( 3.936 -5.158 0.259) 6.493======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( -0.000 12.812 1.470) 12.896 1.723 ( -0.000 12.460 -4.268) 13.171 1.876 ( 0.000 3.824 3.283) 5.040 2.286 ( -0.000 6.430 -8.966) 11.033 2.604 ( 0.000 18.772 6.822) 19.973 3.292 ( -0.000 9.005 1.349) 9.105 5.164 ( -0.000 7.188 0.769) 7.229 5.914 ( 0.000 -5.364 -0.379) 5.377 6.034 ( 0.000 -2.862 -0.317) 2.880 6.347 ( -0.000 5.696 -3.760) 6.825 7.331 ( 0.000 -16.302 5.658) 17.256 7.987 ( -0.000 -0.043 -9.746) 9.746======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( -2.187 8.827 -4.954) 10.356 1.909 ( 8.471 3.220 -6.490) 11.147 1.980 ( 2.344 15.594 8.032) 17.697 2.336 ( 1.608 5.850 -5.623) 8.272 2.800 ( 2.823 9.816 2.344) 10.479 3.448 ( 3.309 14.725 4.036) 15.623 5.282 ( 4.738 7.735 0.800) 9.106 5.846 ( -1.980 -4.354 -0.803) 4.850 6.007 ( -0.396 -1.323 -0.401) 1.438 6.387 ( 1.367 0.639 -1.430) 2.079 7.167 ( -1.687 -16.764 4.116) 17.345 7.916 ( -4.724 0.088 -7.981) 9.275======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 2.393 8.407 -3.179) 9.301 2.011 ( 2.133 4.899 -0.110) 5.344 2.284 ( 10.411 14.476 1.906) 17.932 2.420 ( 3.204 5.584 -2.917) 7.068 2.898 ( 1.818 2.242 0.509) 2.931 3.687 ( 5.272 14.217 2.642) 15.392 5.471 ( 6.963 8.607 0.848) 11.103 5.767 ( -2.399 -2.627 -0.880) 3.665 5.997 ( -0.143 0.632 -0.672) 0.934 6.389 ( 0.531 -2.453 -0.933) 2.678 6.970 ( -3.898 -15.063 2.094) 15.699 7.799 ( -5.626 -0.578 -4.507) 7.232======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 4.292 8.813 -0.764) 9.832 2.091 ( 1.014 5.683 0.397) 5.786 2.484 ( 2.778 3.369 0.478) 4.393 2.617 ( 6.913 12.089 -0.175) 13.927 2.945 ( 3.099 1.788 -0.303) 3.591 3.890 ( 4.434 8.203 0.728) 9.353 5.664 ( 4.091 7.494 1.129) 8.612 5.724 ( -0.015 0.862 -0.683) 1.100 6.011 ( 0.806 1.407 -0.979) 1.894 6.365 ( 0.313 -2.324 -1.288) 2.675 6.756 ( -6.344 -10.719 0.688) 12.474 7.702 ( -2.700 -2.466 -1.212) 3.852======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( 3.504 8.265 -0.370) 8.985 2.160 ( -0.198 6.386 0.648) 6.422 2.542 ( 1.506 1.247 -0.411) 1.998 2.716 ( -0.948 -1.463 1.107) 2.065 3.092 ( 3.040 14.753 -1.535) 15.141 4.006 ( 3.975 0.746 0.827) 4.128 5.717 ( 1.718 1.131 0.053) 2.057 5.811 ( -0.111 7.849 0.726) 7.884 6.040 ( 2.363 -0.756 -0.769) 2.597 6.355 ( -0.318 0.595 -1.804) 1.926 6.570 ( -5.691 -4.716 0.838) 7.438 7.650 ( 0.774 -4.526 0.148) 4.594======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( 0.667 6.900 -1.055) 7.012 2.212 ( -1.076 6.362 0.259) 6.458 2.559 ( -0.094 -0.015 -0.654) 0.661 2.643 ( -1.610 -6.351 1.304) 6.680 3.236 ( -6.386 18.519 -1.688) 19.662 4.063 ( 4.905 -4.681 1.634) 6.974 5.776 ( 3.085 1.510 -0.021) 3.435 5.838 ( -3.977 4.663 0.443) 6.144 6.075 ( 4.118 -2.648 -0.600) 4.933 6.331 ( -4.722 4.621 -0.558) 6.631 6.497 ( -0.674 -0.524 0.224) 0.882 7.634 ( 3.033 -5.511 0.182) 6.293======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( -0.000 5.976 -8.901) 10.721 1.787 ( -0.000 3.334 -8.257) 8.905 2.120 ( 0.000 12.313 6.170) 13.772 2.367 ( -0.000 5.914 -2.447) 6.400 2.876 ( 0.000 6.149 3.752) 7.203 3.599 ( -0.000 17.720 4.188) 18.208 5.307 ( -0.000 6.265 0.668) 6.300 5.822 ( -0.000 -3.165 -1.327) 3.432 6.002 ( -0.000 0.189 -0.331) 0.381 6.378 ( 0.000 -0.799 1.216) 1.455 7.022 ( 0.000 -16.714 2.077) 16.843 7.935 ( -0.000 -0.074 -6.983) 6.983======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 0.748 5.669 -5.865) 8.191 1.915 ( 8.587 1.774 -7.387) 11.465 2.299 ( 5.447 12.704 3.672) 14.302 2.431 ( 1.129 5.240 -0.089) 5.361 2.919 ( -0.634 1.203 3.648) 3.893 3.795 ( 1.317 16.180 2.219) 16.384 5.421 ( 6.234 5.406 0.431) 8.262 5.779 ( -1.625 -1.425 -1.515) 2.640 6.012 ( -0.161 2.142 -0.333) 2.173 6.367 ( -0.255 -2.311 2.322) 3.286 6.859 ( -0.879 -15.031 0.255) 15.059 7.874 ( -4.389 -0.266 -4.837) 6.537======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 5.139 6.970 -1.851) 8.855 2.049 ( 7.081 1.671 -3.688) 8.157 2.490 ( 1.232 3.869 1.496) 4.327 2.581 ( 10.071 11.026 -0.051) 14.933 2.918 ( 0.683 -1.002 3.312) 3.527 3.952 ( 0.327 11.031 -0.033) 11.036 5.613 ( 9.066 5.008 0.174) 10.359 5.739 ( -1.566 0.564 -1.221) 2.064 6.033 ( -0.590 3.180 -0.428) 3.262 6.342 ( -0.282 -2.574 2.161) 3.373 6.703 ( -1.573 -11.833 -0.693) 11.957 7.765 ( -6.050 -0.610 -2.368) 6.526======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 5.276 6.876 -0.145) 8.668 2.168 ( 4.935 3.026 -1.075) 5.888 2.537 ( 0.818 1.737 0.642) 2.025 2.720 ( -1.189 -1.491 0.093) 1.909 3.078 ( 12.677 9.740 1.521) 16.059 4.013 ( -1.937 4.325 -0.817) 4.808 5.719 ( -0.107 2.051 -0.316) 2.078 5.815 ( 6.647 3.902 -0.131) 7.709 6.038 ( -1.891 1.668 -0.372) 2.549 6.342 ( 1.868 -0.238 0.993) 2.129 6.576 ( -1.798 -7.031 -0.409) 7.269 7.654 ( -4.766 -1.580 -0.641) 5.062======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 3.260 5.646 -0.000) 6.519 2.269 ( 2.605 4.513 -0.000) 5.211 2.558 ( 0.294 0.509 -0.000) 0.588 2.621 ( -3.901 -6.757 -0.000) 7.803 3.411 ( 8.808 15.256 -0.000) 17.616 3.972 ( -2.288 -3.963 -0.000) 4.576 5.753 ( 1.465 2.537 -0.000) 2.929 5.919 ( 1.479 2.562 -0.000) 2.959 5.999 ( -1.336 -2.315 -0.000) 2.673 6.400 ( 1.895 3.282 -0.000) 3.789 6.508 ( -0.995 -1.723 -0.000) 1.990 7.574 ( -1.666 -2.885 -0.000) 3.331======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -0.000 3.613 -8.280) 9.034 1.812 ( -0.000 3.107 -3.529) 4.702 2.369 ( -0.000 9.706 2.307) 9.976 2.475 ( -0.000 4.577 1.479) 4.810 2.938 ( 0.000 -1.748 4.282) 4.625 3.946 ( -0.000 14.411 0.617) 14.424 5.403 ( -0.000 3.039 0.227) 3.047 5.783 ( -0.000 0.390 -1.691) 1.735 6.041 ( -0.000 3.542 -0.150) 3.546 6.356 ( 0.000 -2.994 4.256) 5.204 6.724 ( 0.000 -12.483 -2.014) 12.644 7.896 ( -0.000 -0.396 -3.749) 3.770======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 3.764 5.799 -1.911) 7.173 1.911 ( 7.576 1.823 -3.099) 8.386 2.517 ( 3.410 5.712 1.686) 6.863 2.525 ( 3.814 5.328 0.617) 6.581 2.911 ( -0.837 -4.012 3.799) 5.588 4.065 ( -0.640 10.277 -1.253) 10.373 5.495 ( 7.468 2.145 -0.094) 7.770 5.777 ( -1.514 2.176 -1.242) 2.928 6.077 ( -0.271 3.961 -0.101) 3.972 6.329 ( -0.504 -4.379 4.453) 6.266 6.608 ( -0.500 -8.287 -3.034) 8.839 7.846 ( -4.089 -0.264 -2.178) 4.641======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 6.082 5.630 0.134) 8.289 2.066 ( 8.188 2.247 -0.446) 8.503 2.549 ( 0.081 1.329 1.320) 1.875 2.709 ( 3.335 1.511 -1.457) 3.940 2.924 ( 9.265 -0.169 3.624) 9.950 4.111 ( -2.803 5.699 -2.149) 6.705 5.674 ( 9.992 1.620 -0.491) 10.134 5.774 ( -1.317 3.301 -0.527) 3.593 6.100 ( -1.653 3.230 0.103) 3.630 6.294 ( 1.317 -4.808 2.950) 5.792 6.529 ( -0.679 -3.869 -2.024) 4.419 7.748 ( -6.326 -0.031 -0.873) 6.386======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -0.000 6.465 0.734) 6.506 1.864 ( -0.000 2.988 0.368) 3.011 2.521 ( -0.000 4.763 -0.146) 4.765 2.549 ( 0.000 1.704 1.881) 2.538 2.880 ( 0.000 -5.725 2.576) 6.278 4.152 ( -0.000 6.968 -2.705) 7.475 5.439 ( -0.000 0.851 -0.071) 0.854 5.819 ( -0.000 3.807 -0.577) 3.851 6.115 ( -0.000 3.272 -0.103) 3.273 6.289 ( 0.000 -7.061 3.719) 7.981 6.550 ( -0.000 -2.501 -3.361) 4.189 7.874 ( -0.000 -0.125 -1.383) 1.389======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 4.221 2.669 0.629) 5.033 1.993 ( 5.540 7.307 4.843) 10.370 2.563 ( -0.149 0.153 1.488) 1.503 2.620 ( 7.149 2.236 -1.291) 7.601 2.824 ( 0.501 -6.081 1.752) 6.348 4.182 ( -1.177 3.189 -3.482) 4.867 5.516 ( 7.917 0.390 -0.319) 7.933 5.843 ( -1.844 4.316 0.278) 4.701 6.142 ( 0.021 2.245 0.098) 2.247 6.226 ( 0.423 -6.923 1.678) 7.136 6.525 ( -1.159 0.730 -2.003) 2.427 7.838 ( -3.843 0.369 -0.649) 3.915======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 0.000 2.310 2.479) 3.389 2.053 ( 0.000 9.656 8.371) 12.779 2.550 ( -0.000 -1.284 -1.438) 1.928 2.566 ( 0.000 -0.870 1.491) 1.726 2.764 ( 0.000 -6.108 -0.542) 6.132 4.192 ( -0.000 -0.616 -4.317) 4.360 5.444 ( -0.000 -0.136 -0.158) 0.208 5.906 ( 0.000 3.366 1.378) 3.637 6.149 ( -0.000 0.024 -0.142) 0.144 6.167 ( 0.000 -3.972 -0.021) 3.972 6.552 ( -0.000 2.887 -1.371) 3.196 7.877 ( -0.000 0.984 -0.476) 1.093======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( 0.000 -0.000 19.688) 19.688 0.861 ( 0.000 -0.000 19.688) 19.688 1.479 ( 0.000 -0.000 35.733) 35.733 1.968 ( -0.000 0.000 -7.521) 7.521 1.968 ( -0.000 0.000 -7.521) 7.521 3.574 ( -0.000 0.000 -19.270) 19.270 4.938 ( 0.000 0.000 0.129) 0.129 4.938 ( 0.000 -0.000 0.129) 0.129 6.184 ( 0.000 -0.000 0.083) 0.083 6.184 ( 0.000 -0.000 0.083) 0.083 7.737 ( 0.000 -0.000 3.921) 3.921 8.181 ( -0.000 0.000 -1.692) 1.692======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 2.895 1.672 18.146) 18.451 1.109 ( 7.639 4.410 21.333) 23.084 1.711 ( 10.659 6.154 14.385) 18.932 1.990 ( 7.004 4.044 0.786) 8.126 2.000 ( 2.839 1.639 -7.055) 7.779 3.337 ( -7.564 -4.367 -12.185) 14.992 4.976 ( 2.776 1.602 -0.040) 3.205 5.534 ( 35.939 20.749 -15.266) 44.217 6.146 ( -3.400 -1.963 -0.232) 3.933 6.155 ( -2.222 -1.283 0.129) 2.569 7.724 ( -2.461 -1.421 4.448) 5.278 8.112 ( -5.282 -3.050 -3.706) 7.137======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 8.890 5.133 13.398) 16.878 1.281 ( 2.085 1.204 20.435) 20.576 1.955 ( 11.865 6.850 -13.120) 18.969 2.054 ( 3.797 2.192 -6.311) 7.684 2.341 ( 18.229 10.524 14.063) 25.314 3.237 ( 1.307 0.755 -8.620) 8.751 5.063 ( 4.839 2.794 -0.197) 5.591 6.034 ( -5.155 -2.976 -0.768) 6.002 6.091 ( -3.224 -1.861 0.156) 3.726 6.157 ( 20.738 11.973 -11.967) 26.770 7.648 ( -6.181 -3.569 7.866) 10.622 7.932 ( -7.911 -4.568 -8.519) 12.491======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 10.629 6.137 8.580) 14.975 1.384 ( 3.492 2.016 11.185) 11.890 2.137 ( 5.033 2.906 -5.069) 7.711 2.192 ( 11.039 6.373 -7.137) 14.609 2.759 ( 13.869 8.007 3.248) 16.341 3.345 ( 9.835 5.678 -1.990) 11.529 5.189 ( 5.974 3.449 -0.181) 6.900 5.900 ( -5.672 -3.275 -0.249) 6.554 6.023 ( -2.420 -1.397 0.114) 2.797 6.443 ( 7.356 4.247 -7.515) 11.341 7.435 ( -14.890 -8.597 5.126) 17.941 7.788 ( -1.441 -0.832 -5.161) 5.422======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 6.554 3.784 5.015) 9.079 1.596 ( 8.836 5.102 4.269) 11.060 2.255 ( 6.384 3.686 -3.052) 7.979 2.390 ( 7.553 4.361 -3.281) 9.318 2.967 ( 4.824 2.785 -1.782) 5.848 3.637 ( 13.949 8.053 1.635) 16.190 5.319 ( 4.982 2.876 0.004) 5.753 5.794 ( -3.222 -1.860 0.166) 3.724 5.996 ( 0.346 0.200 0.018) 0.400 6.494 ( 0.123 0.071 -5.787) 5.789 7.056 ( -17.648 -10.189 0.566) 20.386 7.797 ( 1.677 0.968 0.939) 2.153======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 7.866 4.541 0.443) 9.094 1.770 ( 5.773 3.333 0.714) 6.705 2.399 ( 6.321 3.649 -0.783) 7.340 2.515 ( 4.166 2.405 -2.467) 5.406 2.994 ( -1.722 -0.994 -1.532) 2.511 3.930 ( 10.534 6.082 2.305) 12.380 5.404 ( 2.431 1.404 0.150) 2.811 5.764 ( 0.618 0.357 0.199) 0.741 6.040 ( 3.108 1.794 0.004) 3.589 6.455 ( -1.697 -0.980 -5.645) 5.976 6.684 ( -14.089 -8.134 2.053) 16.397 7.839 ( 1.260 0.728 1.930) 2.417======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 3.472 2.005 -1.468) 4.270 1.881 ( 8.281 4.781 -4.222) 10.452 2.516 ( 3.558 2.054 0.734) 4.173 2.569 ( 1.290 0.745 -2.149) 2.614 2.898 ( -5.624 -3.247 -1.140) 6.593 4.121 ( 5.361 3.095 3.666) 7.195 5.438 ( 0.716 0.413 0.161) 0.842 5.817 ( 3.767 2.175 -0.277) 4.359 6.114 ( 2.808 1.621 0.095) 3.244 6.323 ( -8.225 -4.749 -3.459) 10.108 6.520 ( -1.074 -0.620 2.931) 3.182 7.863 ( 0.447 0.258 1.106) 1.220======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 0.000 10.018 18.192) 20.768 1.154 ( 0.000 11.658 13.456) 17.804 1.790 ( 0.000 10.807 21.008) 23.625 1.882 ( -0.000 -1.334 -7.645) 7.760 2.031 ( -0.000 7.608 -2.823) 8.115 3.297 ( -0.000 -8.095 -13.057) 15.362 4.958 ( -0.000 2.414 0.375) 2.443 5.494 ( -0.000 38.983 -12.452) 40.923 6.141 ( 0.000 -3.861 -0.193) 3.866 6.163 ( 0.000 -2.248 -0.036) 2.248 7.734 ( 0.000 -3.318 4.310) 5.439 8.111 ( -0.000 -4.957 -3.831) 6.265======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -0.897 12.946 12.673) 18.138 1.382 ( 2.864 9.708 18.264) 20.881 1.816 ( 2.640 3.923 -9.910) 10.980 2.034 ( 3.942 8.179 -9.223) 12.942 2.224 ( 12.070 11.380 15.662) 22.814 3.199 ( -0.076 -0.739 -9.663) 9.691 5.025 ( 3.450 3.885 0.188) 5.199 5.952 ( 14.394 22.314 -9.895) 28.337 6.074 ( -2.210 -3.216 -1.406) 4.147 6.117 ( -1.959 -2.570 -0.137) 3.235 7.684 ( -2.039 -6.631 6.487) 9.497 7.990 ( -5.958 -4.810 -7.353) 10.616======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 3.545 10.764 7.214) 13.434 1.507 ( -3.614 10.917 15.691) 19.454 1.975 ( 11.911 3.602 -7.454) 14.505 2.145 ( 3.792 9.362 -8.678) 13.316 2.617 ( 13.955 10.145 6.207) 18.336 3.251 ( 6.284 5.643 -3.929) 9.314 5.146 ( 4.797 5.884 0.000) 7.592 5.945 ( -4.437 -5.090 -0.248) 6.757 6.049 ( -2.446 -2.288 0.082) 3.350 6.324 ( 10.005 8.920 -6.963) 15.105 7.548 ( -7.410 -12.062 7.413) 15.980 7.818 ( -5.414 -0.679 -8.138) 9.798======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 4.049 7.207 4.101) 9.228 1.643 ( -0.176 13.992 10.046) 17.226 2.174 ( 8.316 5.473 -4.586) 10.961 2.305 ( 6.755 7.009 -3.921) 10.494 2.882 ( 7.868 4.123 -1.616) 9.029 3.495 ( 12.503 9.604 0.631) 15.778 5.294 ( 4.375 7.380 0.066) 8.579 5.826 ( -3.726 -3.877 0.151) 5.379 6.001 ( -1.016 -0.814 -0.012) 1.302 6.451 ( 2.744 0.484 -5.263) 5.955 7.234 ( -14.868 -12.405 1.127) 19.396 7.773 ( 0.957 -0.303 -0.252) 1.035======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 4.566 7.676 2.883) 9.385 1.795 ( 0.358 10.768 4.383) 11.631 2.357 ( 5.968 8.888 -2.213) 10.932 2.454 ( 5.210 3.596 -2.190) 6.699 2.977 ( 2.079 -0.240 -2.338) 3.138 3.806 ( 12.034 7.872 1.109) 14.423 5.423 ( 1.441 7.661 0.253) 7.799 5.758 ( -0.744 -1.905 0.509) 2.108 6.009 ( 1.988 1.052 -0.092) 2.251 6.439 ( -0.313 -1.978 -4.877) 5.273 6.858 ( -15.262 -9.559 0.484) 18.015 7.802 ( 2.696 -1.974 2.262) 4.035======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 4.307 7.443 0.427) 8.610 1.896 ( -0.072 8.250 0.215) 8.253 2.524 ( 2.793 9.306 -0.008) 9.716 2.539 ( 2.600 1.471 -2.037) 3.616 2.941 ( -3.318 -2.681 -2.451) 4.920 4.048 ( 8.338 4.145 2.343) 9.602 5.493 ( -1.845 7.350 0.325) 7.586 5.769 ( 2.850 -0.024 0.434) 2.883 6.077 ( 3.546 1.796 -0.029) 3.974 6.375 ( -3.584 -3.210 -5.348) 7.194 6.578 ( -7.853 -4.486 3.378) 9.655 7.828 ( 2.372 -3.045 1.693) 4.215======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 0.000 12.433 12.617) 17.713 1.457 ( -0.000 12.901 2.655) 13.171 1.838 ( -0.000 0.865 -2.357) 2.511 2.050 ( -0.000 12.507 -14.057) 18.816 2.296 ( 0.000 14.329 17.096) 22.307 3.174 ( -0.000 2.193 -7.153) 7.482 5.039 ( -0.000 5.374 0.723) 5.422 6.009 ( -0.000 3.936 -0.870) 4.031 6.081 ( -0.000 13.031 -6.882) 14.737 6.101 ( 0.000 -3.599 -0.236) 3.606 7.636 ( 0.000 -10.892 6.993) 12.944 7.976 ( -0.000 -3.276 -9.101) 9.673======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -2.182 10.408 2.321) 10.885 1.698 ( 6.170 12.902 7.232) 16.026 1.841 ( 1.332 4.056 -2.336) 4.866 2.151 ( 2.863 10.058 -11.727) 15.713 2.565 ( 7.487 13.602 9.259) 18.078 3.228 ( 2.871 8.029 -2.284) 8.828 5.135 ( 3.709 6.855 0.613) 7.818 5.949 ( -2.360 -5.842 -0.210) 6.304 6.054 ( -1.185 -3.121 -0.202) 3.344 6.274 ( 5.105 11.292 -3.985) 13.017 7.512 ( -2.206 -15.238 7.192) 16.994 7.881 ( -4.754 -0.241 -9.661) 10.770======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( 1.847 8.680 -0.250) 8.878 1.861 ( -3.352 12.802 9.830) 16.485 2.035 ( 13.087 7.963 -4.879) 16.078 2.276 ( 4.168 8.181 -5.238) 10.571 2.804 ( 6.097 6.830 0.511) 9.170 3.426 ( 8.021 12.320 1.206) 14.751 5.295 ( 5.323 8.778 0.419) 10.274 5.843 ( -3.221 -4.869 -0.228) 5.842 6.008 ( -1.098 -1.640 -0.217) 1.986 6.398 ( 2.748 1.839 -2.483) 4.135 7.293 ( -7.217 -16.038 3.446) 17.921 7.784 ( -3.341 0.458 -4.573) 5.681======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 3.917 9.007 0.886) 9.862 1.950 ( -2.087 9.792 5.443) 11.396 2.329 ( 9.446 12.980 -1.725) 16.146 2.408 ( 4.279 5.379 -2.152) 7.202 2.922 ( 3.465 1.464 -1.706) 4.130 3.706 ( 9.781 10.488 0.709) 14.358 5.475 ( 3.856 10.231 0.436) 10.943 5.756 ( -1.847 -3.071 0.188) 3.589 5.993 ( 0.562 0.171 -0.270) 0.646 6.407 ( 0.108 -2.002 -2.642) 3.317 6.990 ( -11.513 -12.343 0.337) 16.882 7.748 ( 0.560 -2.303 0.422) 2.408======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 3.623 9.036 0.912) 9.778 2.017 ( -2.120 8.527 2.916) 9.258 2.503 ( 2.972 2.491 -1.243) 4.072 2.582 ( 4.238 13.393 -0.191) 14.049 2.947 ( -0.257 0.041 -2.797) 2.809 3.947 ( 8.706 5.337 0.943) 10.256 5.611 ( -0.321 10.304 0.537) 10.323 5.730 ( 1.087 -0.899 0.570) 1.522 6.031 ( 3.075 1.068 -0.183) 3.260 6.368 ( -0.958 -2.138 -3.278) 4.029 6.695 ( -10.602 -7.386 1.012) 12.961 7.746 ( 2.526 -4.648 1.549) 5.512======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( -0.000 7.218 -1.004) 7.287 1.644 ( -0.000 8.171 -10.506) 13.309 1.938 ( 0.000 7.700 8.130) 11.198 2.193 ( -0.000 10.599 -9.299) 14.100 2.680 ( 0.000 14.019 8.121) 16.201 3.302 ( -0.000 12.558 0.998) 12.597 5.172 ( -0.000 7.174 0.851) 7.225 5.910 ( 0.000 -5.734 -0.595) 5.765 6.031 ( 0.000 -2.889 -0.372) 2.912 6.327 ( -0.000 7.586 -0.434) 7.599 7.385 ( 0.000 -17.788 5.750) 18.694 7.896 ( -0.000 0.836 -9.452) 9.489======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -0.688 7.063 -5.635) 9.061 1.834 ( 11.248 4.025 -9.019) 14.969 2.058 ( 1.044 12.575 7.876) 14.874 2.291 ( 2.056 8.779 -3.362) 9.623 2.830 ( 1.192 8.621 3.552) 9.400 3.478 ( 3.040 15.774 2.475) 16.254 5.289 ( 4.688 7.701 0.608) 9.036 5.838 ( -1.858 -4.686 -0.868) 5.116 6.004 ( -0.413 -1.365 -0.329) 1.464 6.386 ( 0.711 1.796 1.197) 2.273 7.203 ( -1.846 -18.389 3.569) 18.823 7.845 ( -3.800 1.231 -6.898) 7.971======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 4.146 8.136 -2.206) 9.395 1.994 ( 5.955 2.707 -3.520) 7.428 2.308 ( 8.861 15.493 2.755) 18.059 2.401 ( 2.565 6.239 -0.832) 6.797 2.907 ( 0.564 3.150 1.338) 3.469 3.704 ( 4.650 13.803 1.021) 14.601 5.476 ( 7.038 8.577 0.213) 11.097 5.760 ( -2.105 -2.929 -0.605) 3.657 5.993 ( -0.228 0.542 -0.228) 0.631 6.389 ( -0.574 -1.529 0.940) 1.884 6.986 ( -4.339 -15.971 1.094) 16.586 7.764 ( -4.008 -0.177 -2.821) 4.904======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 4.957 8.586 -0.000) 9.914 2.093 ( 2.514 4.354 0.000) 5.027 2.487 ( 2.030 3.516 -0.000) 4.060 2.616 ( 7.378 12.779 -0.000) 14.756 2.944 ( 1.577 2.731 -0.000) 3.154 3.894 ( 4.517 7.824 -0.000) 9.035 5.670 ( 4.274 7.404 -0.000) 8.549 5.721 ( 0.380 0.659 -0.000) 0.760 6.006 ( 0.744 1.288 -0.000) 1.488 6.359 ( -0.861 -1.492 -0.000) 1.722 6.759 ( -6.298 -10.908 -0.000) 12.595 7.696 ( -1.610 -2.788 -0.000) 3.220======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( -0.000 4.497 -9.703) 10.694 1.711 ( -0.000 5.578 -7.608) 9.434 2.174 ( 0.000 10.410 5.386) 11.721 2.355 ( -0.000 8.129 -0.104) 8.130 2.913 ( 0.000 5.885 3.853) 7.034 3.629 ( -0.000 17.259 2.357) 17.419 5.313 ( -0.000 6.104 0.538) 6.127 5.809 ( -0.000 -3.470 -1.323) 3.714 5.999 ( -0.000 0.253 -0.278) 0.376 6.401 ( 0.000 0.016 3.512) 3.512 7.040 ( 0.000 -18.583 1.804) 18.670 7.872 ( -0.000 1.308 -6.217) 6.353======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 2.623 6.678 -4.651) 8.550 1.848 ( 9.333 3.198 -6.619) 11.880 2.332 ( 5.063 11.097 3.106) 12.587 2.437 ( 0.760 6.117 1.312) 6.302 2.951 ( -1.087 1.664 3.176) 3.747 3.809 ( 0.990 15.105 0.606) 15.150 5.423 ( 6.142 5.230 0.096) 8.068 5.766 ( -1.445 -1.581 -1.180) 2.445 6.010 ( -0.190 2.200 -0.124) 2.211 6.397 ( -0.929 -1.600 3.953) 4.365 6.860 ( -0.690 -16.720 -0.040) 16.734 7.832 ( -3.776 0.837 -3.948) 5.526======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( -0.000 6.180 -4.693) 7.760 1.784 ( -0.000 4.925 -2.264) 5.420 2.387 ( -0.000 8.454 1.619) 8.608 2.493 ( 0.000 4.827 2.157) 5.287 2.972 ( 0.000 -1.742 3.005) 3.474 3.945 ( -0.000 13.124 -0.888) 13.154 5.404 ( -0.000 2.899 0.043) 2.900 5.770 ( -0.000 0.499 -1.048) 1.160 6.040 ( -0.000 3.584 -0.086) 3.585 6.402 ( 0.000 -2.495 5.417) 5.964 6.704 ( 0.000 -14.301 -2.218) 14.472 7.863 ( -0.000 0.755 -3.125) 3.215======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 0.000 -0.000 16.132) 16.132 1.031 ( 0.000 -0.000 16.132) 16.132 1.794 ( 0.000 -0.000 30.889) 30.889 1.894 ( -0.000 0.000 -7.871) 7.871 1.894 ( -0.000 0.000 -7.871) 7.871 3.386 ( -0.000 0.000 -20.088) 20.088 4.939 ( 0.000 -0.000 0.105) 0.105 4.939 ( 0.000 -0.000 0.105) 0.105 6.184 ( 0.000 -0.000 0.066) 0.066 6.184 ( 0.000 -0.000 0.066) 0.066 7.771 ( 0.000 -0.000 3.339) 3.339 8.165 ( -0.000 0.000 -1.589) 1.589======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 2.097 1.211 16.243) 16.423 1.289 ( 11.273 6.508 16.202) 20.783 1.745 ( -2.858 -1.650 -4.111) 5.272 1.929 ( 3.114 1.798 -7.881) 8.662 2.084 ( 12.339 7.124 16.066) 21.474 3.212 ( -5.199 -3.002 -13.628) 14.891 4.974 ( 2.692 1.554 -0.257) 3.119 5.426 ( 32.599 18.821 -8.196) 38.524 6.143 ( -3.562 -2.057 -0.234) 4.120 6.157 ( -2.196 -1.268 0.183) 2.543 7.762 ( -1.691 -0.976 3.583) 4.081 8.081 ( -6.736 -3.889 -2.825) 8.275======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 7.129 4.116 13.849) 16.111 1.471 ( -1.571 -0.907 18.937) 19.024 1.832 ( 13.917 8.035 -12.203) 20.178 1.989 ( 4.293 2.479 -7.568) 9.047 2.452 ( 15.160 8.753 8.884) 19.631 3.157 ( 3.527 2.037 -7.716) 8.725 5.060 ( 4.833 2.790 -0.522) 5.605 6.026 ( -1.399 -0.808 -0.857) 1.828 6.067 ( 18.259 10.542 -7.140) 22.260 6.093 ( -3.229 -1.865 0.267) 3.739 7.722 ( -3.976 -2.295 7.867) 9.108 7.855 ( -10.242 -5.913 -7.663) 14.092======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 8.640 4.988 10.385) 14.400 1.491 ( 0.963 0.556 11.010) 11.066 2.082 ( 5.903 3.408 -6.569) 9.466 2.138 ( 12.864 7.427 -3.751) 15.320 2.772 ( 10.941 6.317 -0.729) 12.654 3.326 ( 12.115 6.995 -1.795) 14.104 5.186 ( 6.075 3.507 -0.530) 7.034 5.900 ( -5.520 -3.187 0.260) 6.379 6.025 ( -2.470 -1.426 0.263) 2.864 6.380 ( 7.906 4.564 -5.712) 10.769 7.460 ( -17.076 -9.859 -0.227) 19.719 7.771 ( 1.184 0.683 1.698) 2.179======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 4.488 2.591 8.322) 9.804 1.646 ( 6.828 3.942 6.225) 10.046 2.220 ( 7.610 4.393 -4.305) 9.785 2.365 ( 7.818 4.514 -2.019) 9.251 2.945 ( 4.827 2.787 -2.913) 6.289 3.642 ( 14.505 8.374 -0.385) 16.753 5.317 ( 5.128 2.960 -0.299) 5.928 5.798 ( -3.162 -1.826 0.857) 3.750 5.997 ( 0.285 0.164 0.166) 0.368 6.442 ( 0.300 0.173 -5.107) 5.119 7.054 ( -17.323 -10.002 -0.948) 20.026 7.822 ( 1.845 1.065 4.161) 4.675======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 0.000 9.764 16.890) 19.510 1.252 ( 0.000 8.942 6.605) 11.117 1.822 ( -0.000 -0.402 -4.379) 4.397 1.849 ( -0.000 2.687 -6.180) 6.738 2.109 ( 0.000 10.291 16.583) 19.517 3.171 ( -0.000 -5.065 -12.790) 13.756 4.962 ( -0.000 2.561 0.488) 2.607 5.407 ( -0.000 36.043 -6.427) 36.611 6.140 ( 0.000 -4.131 -0.044) 4.131 6.162 ( 0.000 -2.315 -0.117) 2.318 7.770 ( 0.000 -2.301 3.213) 3.951 8.079 ( -0.000 -7.037 -2.830) 7.585======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( -1.008 9.444 10.427) 14.104 1.536 ( 9.705 7.744 13.580) 18.400 1.726 ( -3.157 4.965 -8.325) 10.194 1.940 ( 4.312 5.529 -9.800) 12.050 2.356 ( 9.571 10.843 11.128) 18.248 3.115 ( 0.977 1.685 -7.528) 7.776 5.026 ( 3.074 4.164 0.103) 5.177 5.880 ( 15.238 25.348 -5.233) 30.035 6.066 ( -2.922 -4.985 -0.478) 5.798 6.117 ( -1.906 -2.838 -0.023) 3.418 7.742 ( -0.803 -4.346 5.585) 7.122 7.927 ( -7.048 -8.025 -5.963) 12.232======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( 3.684 6.182 6.823) 9.916 1.637 ( -4.501 10.219 11.234) 15.840 1.916 ( 13.076 4.292 -4.787) 14.571 2.069 ( 5.992 10.009 -6.324) 13.269 2.653 ( 10.266 8.390 1.069) 13.301 3.221 ( 7.737 7.940 -2.152) 11.294 5.144 ( 4.590 6.203 -0.278) 7.722 5.945 ( -4.351 -5.111 0.106) 6.713 6.050 ( -2.377 -2.427 0.153) 3.400 6.273 ( 9.870 10.095 -3.776) 14.614 7.599 ( -11.212 -13.347 2.012) 17.548 7.765 ( -0.784 0.135 -1.576) 1.765======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 4.931 4.715 5.258) 8.614 1.742 ( -2.066 12.740 10.473) 16.621 2.124 ( 9.000 6.292 -6.110) 12.567 2.280 ( 7.656 7.167 -0.970) 10.532 2.861 ( 7.090 4.122 -2.866) 8.687 3.494 ( 12.649 10.352 -0.912) 16.370 5.293 ( 4.342 7.698 -0.305) 8.843 5.830 ( -3.479 -3.929 0.650) 5.288 6.001 ( -0.998 -0.972 0.171) 1.404 6.409 ( 2.221 1.145 -3.566) 4.355 7.230 ( -15.609 -11.822 -1.823) 19.665 7.792 ( 2.628 -1.236 4.082) 5.010======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( -0.000 9.178 -7.242) 11.691 1.495 ( 0.000 6.899 12.917) 14.644 1.852 ( 0.000 3.688 4.988) 6.204 1.904 ( -0.000 11.987 -16.274) 20.212 2.435 ( 0.000 13.307 11.316) 17.468 3.117 ( -0.000 5.259 -4.279) 6.780 5.046 ( -0.000 5.461 0.811) 5.521 6.002 ( -0.000 18.886 -0.329) 18.889 6.039 ( -0.000 -0.157 -2.264) 2.270 6.099 ( 0.000 -3.659 -0.308) 3.672 7.703 ( 0.000 -9.535 7.205) 11.951 7.892 ( -0.000 -5.767 -8.735) 10.467======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( -0.609 6.531 -2.574) 7.046 1.707 ( 12.179 5.317 -3.784) 13.818 1.870 ( -3.955 9.753 5.822) 12.027 2.060 ( 5.006 11.922 -5.624) 14.100 2.634 ( 4.191 11.715 4.970) 13.398 3.213 ( 3.313 10.688 -0.541) 11.203 5.141 ( 3.437 6.990 0.493) 7.805 5.947 ( -2.354 -6.139 -0.211) 6.578 6.052 ( -1.068 -3.222 -0.204) 3.400 6.255 ( 4.664 12.950 -0.089) 13.764 7.575 ( -2.978 -16.810 5.814) 18.035 7.799 ( -3.275 0.514 -7.356) 8.069======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 3.869 6.701 -0.000) 7.738 1.921 ( 2.637 4.568 -0.000) 5.274 2.002 ( 8.409 14.565 -0.000) 16.818 2.248 ( 5.202 9.009 -0.000) 10.403 2.807 ( 4.034 6.987 -0.000) 8.068 3.432 ( 7.639 13.231 -0.000) 15.278 5.297 ( 5.165 8.947 -0.000) 10.331 5.842 ( -2.930 -5.075 -0.000) 5.860 6.007 ( -1.019 -1.765 -0.000) 2.038 6.386 ( 1.616 2.799 -0.000) 3.232 7.310 ( -9.135 -15.822 -0.000) 18.270 7.762 ( -0.231 -0.400 -0.000) 0.462======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -0.000 8.373 -11.157) 13.949 1.576 ( -0.000 2.073 -6.491) 6.814 2.014 ( 0.000 7.658 7.771) 10.910 2.132 ( -0.000 14.361 -3.004) 14.672 2.744 ( 0.000 11.864 5.148) 12.933 3.312 ( -0.000 14.459 1.194) 14.508 5.179 ( -0.000 7.113 0.768) 7.154 5.904 ( 0.000 -6.105 -0.608) 6.135 6.028 ( 0.000 -2.885 -0.354) 2.907 6.339 ( 0.000 8.801 2.941) 9.280 7.435 ( 0.000 -19.351 4.501) 19.867 7.816 ( -0.000 1.674 -7.271) 7.461======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 0.000 -0.000 9.949) 9.949 1.156 ( 0.000 -0.000 9.949) 9.949 1.828 ( -0.000 0.000 -5.773) 5.773 1.828 ( -0.000 0.000 -5.773) 5.773 2.042 ( 0.000 -0.000 20.551) 20.551 3.214 ( -0.000 0.000 -15.206) 15.206 4.940 ( 0.000 0.000 0.059) 0.059 4.940 ( 0.000 -0.000 0.059) 0.059 6.185 ( 0.000 -0.000 0.037) 0.037 6.185 ( 0.000 -0.000 0.037) 0.037 7.797 ( 0.000 -0.000 1.962) 1.962 8.153 ( -0.000 0.000 -1.005) 1.005======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( 2.618 1.512 11.943) 12.320 1.387 ( 14.578 8.416 2.767) 17.059 1.712 ( -6.553 -3.783 0.370) 7.576 1.857 ( 2.825 1.631 -6.888) 7.622 2.218 ( 9.639 5.565 9.798) 14.828 3.102 ( -3.029 -1.749 -8.310) 9.015 4.971 ( 2.551 1.473 -0.422) 2.975 5.375 ( 30.474 17.594 -2.876) 35.306 6.141 ( -3.667 -2.117 -0.185) 4.239 6.159 ( -2.144 -1.238 0.199) 2.483 7.788 ( -1.114 -0.643 1.647) 2.090 8.062 ( -7.600 -4.388 -1.212) 8.859======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 6.598 3.810 12.306) 14.473 1.582 ( -3.217 -1.858 -0.766) 3.793 1.777 ( 16.514 9.535 5.949) 19.976 1.915 ( 4.340 2.506 -7.759) 9.236 2.493 ( 12.255 7.075 -0.740) 14.170 3.106 ( 5.202 3.003 -2.373) 6.458 5.054 ( 4.793 2.767 -0.740) 5.584 6.011 ( 21.834 12.606 -2.172) 25.306 6.032 ( -4.882 -2.819 -0.568) 5.666 6.096 ( -3.209 -1.853 0.321) 3.720 7.765 ( -2.836 -1.638 -4.085) 5.236 7.818 ( -11.101 -6.409 4.994) 13.756======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -0.000 5.487 -3.708) 6.622 1.335 ( 0.000 12.703 11.919) 17.419 1.766 ( -0.000 -2.252 -9.275) 9.545 1.811 ( 0.000 1.686 2.250) 2.811 2.233 ( 0.000 9.277 7.019) 11.634 3.082 ( -0.000 -2.960 -4.573) 5.447 4.967 ( -0.000 2.750 0.505) 2.796 5.369 ( -0.000 34.653 -1.666) 34.693 6.140 ( 0.000 -4.250 0.087) 4.251 6.161 ( 0.000 -2.396 -0.175) 2.403 7.791 ( 0.000 -1.409 1.037) 1.749 8.061 ( 0.000 -8.525 -1.027) 8.586======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( 3.129 5.420 -0.000) 6.259 1.604 ( 8.099 14.028 -0.000) 16.198 1.687 ( -0.494 -0.855 0.000) 0.987 1.881 ( 2.977 5.156 0.000) 5.954 2.412 ( 6.401 11.087 -0.000) 12.802 3.076 ( 1.654 2.865 -0.000) 3.308 5.027 ( 2.581 4.470 -0.000) 5.161 5.855 ( 15.073 26.108 -0.000) 30.147 6.064 ( -3.053 -5.288 -0.000) 6.106 6.117 ( -1.719 -2.977 -0.000) 3.438 7.775 ( -0.529 -0.917 -0.000) 1.059 7.893 ( -6.921 -11.987 0.000) 13.841======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 2.32e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 0.000 -0.000 0.000) 0.000 1.205 ( 0.000 -0.000 0.000) 0.000 1.798 ( 0.000 -0.000 0.000) 0.000 1.798 ( 0.000 -0.000 0.000) 0.000 2.147 ( 0.000 -0.000 0.000) 0.000 3.135 ( 0.000 -0.000 0.000) 0.000 4.941 ( 0.000 -0.000 0.000) 0.000 4.941 ( 0.000 -0.000 0.000) 0.000 6.185 ( 0.000 -0.000 0.000) 0.000 6.185 ( 0.000 -0.000 0.000) 0.000 7.806 ( 0.000 -0.000 0.000) 0.000 8.148 ( 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 10.0 428.109 428.109 1040.446 -0.000 0.000 -0.000 3/32928 20.0 117.589 117.589 124.047 -0.000 0.000 -0.000 3/32928 30.0 60.814 60.814 49.666 0.000 0.000 -0.000 3/32928 40.0 41.043 41.043 29.572 0.000 0.000 -0.000 3/32928 50.0 30.494 30.494 20.638 0.000 0.000 -0.000 3/32928 60.0 23.856 23.856 15.650 0.000 0.000 -0.000 3/32928 70.0 19.394 19.394 12.518 0.000 0.000 -0.000 3/32928 80.0 16.262 16.262 10.400 0.000 0.000 -0.000 3/32928 90.0 13.976 13.976 8.888 0.000 0.000 -0.000 3/32928 100.0 12.249 12.249 7.761 0.000 0.000 -0.000 3/32928 110.0 10.906 10.906 6.891 0.000 0.000 -0.000 3/32928 120.0 9.833 9.833 6.201 0.000 0.000 -0.000 3/32928 130.0 8.958 8.958 5.640 0.000 0.000 -0.000 3/32928 140.0 8.230 8.230 5.175 0.000 0.000 -0.000 3/32928 150.0 7.616 7.616 4.783 0.000 0.000 -0.000 3/32928 160.0 7.089 7.089 4.449 0.000 0.000 -0.000 3/32928 170.0 6.633 6.633 4.159 0.000 0.000 -0.000 3/32928 180.0 6.234 6.234 3.906 0.000 0.000 -0.000 3/32928 190.0 5.882 5.882 3.683 0.000 0.000 -0.000 3/32928 200.0 5.569 5.569 3.485 0.000 0.000 -0.000 3/32928 210.0 5.288 5.288 3.308 0.000 0.000 -0.000 3/32928 220.0 5.035 5.035 3.148 0.000 0.000 -0.000 3/32928 230.0 4.806 4.806 3.003 0.000 0.000 -0.000 3/32928 240.0 4.597 4.597 2.872 0.000 0.000 -0.000 3/32928 250.0 4.406 4.406 2.751 0.000 0.000 -0.000 3/32928 260.0 4.230 4.230 2.641 0.000 0.000 -0.000 3/32928 270.0 4.069 4.069 2.539 0.000 0.000 -0.000 3/32928 280.0 3.919 3.919 2.445 0.000 0.000 -0.000 3/32928 290.0 3.781 3.781 2.358 0.000 0.000 -0.000 3/32928 300.0 3.652 3.652 2.277 0.000 0.000 -0.000 3/32928 310.0 3.531 3.531 2.202 0.000 0.000 -0.000 3/32928 320.0 3.419 3.419 2.131 0.000 0.000 -0.000 3/32928 330.0 3.313 3.313 2.065 0.000 0.000 -0.000 3/32928 340.0 3.214 3.214 2.003 0.000 0.000 -0.000 3/32928 350.0 3.121 3.121 1.944 0.000 0.000 -0.000 3/32928 360.0 3.033 3.033 1.889 0.000 0.000 -0.000 3/32928 370.0 2.950 2.950 1.837 0.000 0.000 -0.000 3/32928 380.0 2.871 2.871 1.788 0.000 0.000 -0.000 3/32928 390.0 2.797 2.797 1.741 0.000 0.000 -0.000 3/32928 400.0 2.726 2.726 1.697 0.000 0.000 -0.000 3/32928 410.0 2.659 2.659 1.655 0.000 0.000 -0.000 3/32928 420.0 2.595 2.595 1.615 0.000 0.000 -0.000 3/32928 430.0 2.535 2.535 1.577 0.000 0.000 -0.000 3/32928 440.0 2.477 2.477 1.541 0.000 0.000 -0.000 3/32928 450.0 2.421 2.421 1.506 0.000 0.000 -0.000 3/32928 460.0 2.368 2.368 1.473 0.000 0.000 -0.000 3/32928 470.0 2.318 2.318 1.442 0.000 0.000 -0.000 3/32928 480.0 2.269 2.269 1.411 0.000 0.000 -0.000 3/32928 490.0 2.222 2.222 1.382 0.000 0.000 -0.000 3/32928 500.0 2.178 2.178 1.354 0.000 0.000 -0.000 3/32928 510.0 2.135 2.135 1.328 0.000 0.000 -0.000 3/32928 520.0 2.094 2.094 1.302 0.000 0.000 -0.000 3/32928 530.0 2.054 2.054 1.277 0.000 0.000 -0.000 3/32928 540.0 2.016 2.016 1.253 0.000 0.000 -0.000 3/32928 550.0 1.979 1.979 1.230 0.000 0.000 -0.000 3/32928 560.0 1.944 1.944 1.208 0.000 0.000 -0.000 3/32928 570.0 1.910 1.910 1.187 0.000 0.000 -0.000 3/32928 580.0 1.877 1.877 1.166 0.000 0.000 -0.000 3/32928 590.0 1.845 1.845 1.146 0.000 0.000 -0.000 3/32928 600.0 1.814 1.814 1.127 0.000 0.000 -0.000 3/32928 610.0 1.784 1.784 1.109 0.000 0.000 -0.000 3/32928 620.0 1.755 1.755 1.091 0.000 0.000 -0.000 3/32928 630.0 1.728 1.728 1.073 0.000 0.000 -0.000 3/32928 640.0 1.701 1.701 1.057 0.000 0.000 -0.000 3/32928 650.0 1.674 1.674 1.040 0.000 0.000 -0.000 3/32928 660.0 1.649 1.649 1.024 0.000 0.000 -0.000 3/32928 670.0 1.624 1.624 1.009 0.000 0.000 -0.000 3/32928 680.0 1.601 1.601 0.994 0.000 0.000 -0.000 3/32928 690.0 1.577 1.577 0.980 0.000 0.000 -0.000 3/32928 700.0 1.555 1.555 0.966 0.000 0.000 -0.000 3/32928 710.0 1.533 1.533 0.952 0.000 0.000 -0.000 3/32928 720.0 1.512 1.512 0.939 0.000 0.000 -0.000 3/32928 730.0 1.491 1.491 0.926 0.000 0.000 -0.000 3/32928 740.0 1.471 1.471 0.913 0.000 0.000 -0.000 3/32928 750.0 1.451 1.451 0.901 0.000 0.000 -0.000 3/32928 760.0 1.432 1.432 0.889 0.000 0.000 -0.000 3/32928 770.0 1.414 1.414 0.878 0.000 0.000 -0.000 3/32928 780.0 1.395 1.395 0.866 0.000 0.000 -0.000 3/32928 790.0 1.378 1.378 0.855 0.000 0.000 -0.000 3/32928 800.0 1.361 1.361 0.845 0.000 0.000 -0.000 3/32928 810.0 1.344 1.344 0.834 0.000 0.000 -0.000 3/32928 820.0 1.327 1.327 0.824 0.000 0.000 -0.000 3/32928 830.0 1.312 1.312 0.814 0.000 0.000 -0.000 3/32928 840.0 1.296 1.296 0.804 0.000 0.000 -0.000 3/32928 850.0 1.281 1.281 0.795 0.000 0.000 -0.000 3/32928 860.0 1.266 1.266 0.786 0.000 0.000 -0.000 3/32928 870.0 1.251 1.251 0.777 0.000 0.000 -0.000 3/32928 880.0 1.237 1.237 0.768 0.000 0.000 -0.000 3/32928 890.0 1.223 1.223 0.759 0.000 0.000 -0.000 3/32928 900.0 1.210 1.210 0.751 0.000 0.000 -0.000 3/32928 910.0 1.196 1.196 0.743 0.000 0.000 -0.000 3/32928 920.0 1.183 1.183 0.734 0.000 0.000 -0.000 3/32928 930.0 1.171 1.171 0.727 0.000 0.000 -0.000 3/32928 940.0 1.158 1.158 0.719 0.000 0.000 -0.000 3/32928 950.0 1.146 1.146 0.711 0.000 0.000 -0.000 3/32928 960.0 1.134 1.134 0.704 0.000 0.000 -0.000 3/32928 970.0 1.123 1.123 0.697 0.000 0.000 -0.000 3/32928 980.0 1.111 1.111 0.689 0.000 0.000 -0.000 3/32928 990.0 1.100 1.100 0.683 0.000 0.000 -0.000 3/32928 1000.0 1.089 1.089 0.676 0.000 0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:20:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|