# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/c113b847-c5b8-40f5-bde8-edbcf654d9d2/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 CsLuS2 / R-3m (166) / materials id 561619](https://mdr.nims.go.jp/datasets/8c498c26-3ff1-4105-8cd2-66a0307751f3) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 17:23:18]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.975401239347331 1.140498437294699 7.905793513333325 b -1.975401239347326 1.140498437294699 7.905793513333325 c 0.000000000000001 -2.280996874589402 7.905793513333325Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 *3 S 0.22672155260697 0.22672155260697 0.22672155260697 32.065 4 S 0.77327844739303 0.77327844739303 0.77327844739303 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.950802478694657 0.000000000000000 0.000000000000000 b -1.975401239347328 3.421495311884101 0.000000000000000 c 0.000000000000000 0.000000000000000 23.717380540000001Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 1 3 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 1 *4 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 2 5 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 6 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 2 *7 S 0.00000000000000 0.00000000000000 0.22672155260697 32.065 > 3 8 S 0.66666666666667 0.33333333333333 0.10661178072636 32.065 > 4 9 S 0.66666666666667 0.33333333333333 0.56005488594031 32.065 > 3 10 S 0.33333333333333 0.66666666666667 0.43994511405969 32.065 > 4 11 S 0.33333333333333 0.66666666666667 0.89338821927364 32.065 > 3 12 S 0.00000000000000 0.00000000000000 0.77327844739303 32.065 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 11.852407436083972 0.000000000000000 0.000000000000000 b -5.926203718041984 10.264485935652303 0.000000000000000 c 0.000000000000000 0.000000000000000 23.717380540000001Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 *28 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 2 29 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 2 30 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 2 31 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 2 32 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 2 33 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 2 34 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 2 35 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 2 36 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 2 37 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 2 38 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 2 39 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 2 40 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 2 41 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 2 42 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 2 43 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 2 44 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 2 45 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 2 46 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 2 47 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 2 48 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 2 49 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 2 50 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 2 51 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 2 52 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 2 53 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 2 54 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 2 *55 S 0.00000000000000 0.00000000000000 0.22672155260697 32.065 > 3 56 S 0.33333333333333 0.00000000000000 0.22672155260697 32.065 > 3 57 S 0.66666666666667 0.00000000000000 0.22672155260697 32.065 > 3 58 S 0.00000000000000 0.33333333333333 0.22672155260697 32.065 > 3 59 S 0.33333333333333 0.33333333333333 0.22672155260697 32.065 > 3 60 S 0.66666666666667 0.33333333333333 0.22672155260697 32.065 > 3 61 S 0.00000000000000 0.66666666666667 0.22672155260697 32.065 > 3 62 S 0.33333333333333 0.66666666666667 0.22672155260697 32.065 > 3 63 S 0.66666666666667 0.66666666666667 0.22672155260697 32.065 > 3 64 S 0.22222222222222 0.11111111111111 0.10661178072636 32.065 > 4 65 S 0.55555555555556 0.11111111111111 0.10661178072636 32.065 > 4 66 S 0.88888888888889 0.11111111111111 0.10661178072636 32.065 > 4 67 S 0.22222222222222 0.44444444444444 0.10661178072636 32.065 > 4 68 S 0.55555555555556 0.44444444444444 0.10661178072636 32.065 > 4 69 S 0.88888888888889 0.44444444444444 0.10661178072636 32.065 > 4 70 S 0.22222222222222 0.77777777777778 0.10661178072636 32.065 > 4 71 S 0.55555555555556 0.77777777777778 0.10661178072636 32.065 > 4 72 S 0.88888888888889 0.77777777777778 0.10661178072636 32.065 > 4 73 S 0.22222222222222 0.11111111111111 0.56005488594031 32.065 > 3 74 S 0.55555555555556 0.11111111111111 0.56005488594031 32.065 > 3 75 S 0.88888888888889 0.11111111111111 0.56005488594031 32.065 > 3 76 S 0.22222222222222 0.44444444444444 0.56005488594031 32.065 > 3 77 S 0.55555555555556 0.44444444444444 0.56005488594031 32.065 > 3 78 S 0.88888888888889 0.44444444444444 0.56005488594031 32.065 > 3 79 S 0.22222222222222 0.77777777777778 0.56005488594031 32.065 > 3 80 S 0.55555555555556 0.77777777777778 0.56005488594031 32.065 > 3 81 S 0.88888888888889 0.77777777777778 0.56005488594031 32.065 > 3 82 S 0.11111111111111 0.22222222222222 0.43994511405969 32.065 > 4 83 S 0.44444444444444 0.22222222222222 0.43994511405969 32.065 > 4 84 S 0.77777777777778 0.22222222222222 0.43994511405969 32.065 > 4 85 S 0.11111111111111 0.55555555555556 0.43994511405969 32.065 > 4 86 S 0.44444444444444 0.55555555555556 0.43994511405969 32.065 > 4 87 S 0.77777777777778 0.55555555555556 0.43994511405969 32.065 > 4 88 S 0.11111111111111 0.88888888888889 0.43994511405969 32.065 > 4 89 S 0.44444444444444 0.88888888888889 0.43994511405969 32.065 > 4 90 S 0.77777777777778 0.88888888888889 0.43994511405969 32.065 > 4 91 S 0.11111111111111 0.22222222222222 0.89338821927364 32.065 > 3 92 S 0.44444444444444 0.22222222222222 0.89338821927364 32.065 > 3 93 S 0.77777777777778 0.22222222222222 0.89338821927364 32.065 > 3 94 S 0.11111111111111 0.55555555555556 0.89338821927364 32.065 > 3 95 S 0.44444444444444 0.55555555555556 0.89338821927364 32.065 > 3 96 S 0.77777777777778 0.55555555555556 0.89338821927364 32.065 > 3 97 S 0.11111111111111 0.88888888888889 0.89338821927364 32.065 > 3 98 S 0.44444444444444 0.88888888888889 0.89338821927364 32.065 > 3 99 S 0.77777777777778 0.88888888888889 0.89338821927364 32.065 > 3 100 S 0.00000000000000 0.00000000000000 0.77327844739303 32.065 > 4 101 S 0.33333333333333 0.00000000000000 0.77327844739303 32.065 > 4 102 S 0.66666666666667 0.00000000000000 0.77327844739303 32.065 > 4 103 S 0.00000000000000 0.33333333333333 0.77327844739303 32.065 > 4 104 S 0.33333333333333 0.33333333333333 0.77327844739303 32.065 > 4 105 S 0.66666666666667 0.33333333333333 0.77327844739303 32.065 > 4 106 S 0.00000000000000 0.66666666666667 0.77327844739303 32.065 > 4 107 S 0.33333333333333 0.66666666666667 0.77327844739303 32.065 > 4 108 S 0.66666666666667 0.66666666666667 0.77327844739303 32.065 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6310633 0.0000000 0.0000000 -0.0000000 5.6310633 0.0000000 0.0000000 0.0000000 4.8991550-------------------------- Born effective charges -------------------------- 1 Cs 1.1343181 0.0000000 0.0000000 0.0000000 1.1343181 0.0000000 0.0000000 0.0000000 2.2795104 2 Lu 4.3023187 0.0000000 0.0000000 -0.0000000 4.3023187 0.0000000 0.0000000 0.0000000 1.9743888 3 S -2.7183184 -0.0000000 0.0000000 -0.0000000 -2.7183184 0.0000000 0.0000000 0.0000000 -2.1269496 4 S -2.7183184 -0.0000000 0.0000000 -0.0000000 -2.7183184 0.0000000 0.0000000 0.0000000 -2.1269496----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.011Solver_block: 80 / 80 - Time: 0.133Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.145--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 17:23:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:23:23]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.975401239347331 1.140498437294699 7.905793513333325 b -1.975401239347326 1.140498437294699 7.905793513333325 c 0.000000000000001 -2.280996874589402 7.905793513333325Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 S 0.22672155260697 0.22672155260697 0.22672155260697 32.065 4 S 0.77327844739303 0.77327844739303 0.77327844739303 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 11.852407436083972 0.000000000000000 0.000000000000000 b -5.926203718041984 10.264485935652303 0.000000000000000 c 0.000000000000000 0.000000000000000 23.717380540000001Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 28 29 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 28 30 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 28 31 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 28 32 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 28 33 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 28 34 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 28 35 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 28 36 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 28 37 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 28 38 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 28 39 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 28 40 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 28 41 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 28 42 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 28 43 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 28 44 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 28 45 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 28 46 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 28 47 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 28 48 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 28 49 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 28 50 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 28 51 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 28 52 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 28 53 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 28 54 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 28 55 S 0.00000000000000 0.00000000000000 0.22672155260697 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.22672155260697 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.22672155260697 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.22672155260697 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.22672155260697 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.22672155260697 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.22672155260697 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.22672155260697 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.22672155260697 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.10661178072636 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.10661178072636 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.10661178072636 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.10661178072636 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.10661178072636 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.10661178072636 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.10661178072636 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.10661178072636 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.10661178072636 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.56005488594031 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.56005488594031 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.56005488594031 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.56005488594031 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.56005488594031 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.56005488594031 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.56005488594031 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.56005488594031 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.56005488594031 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.43994511405969 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.43994511405969 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.43994511405969 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.43994511405969 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.43994511405969 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.43994511405969 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.43994511405969 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.43994511405969 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.43994511405969 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.89338821927364 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.89338821927364 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.89338821927364 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.89338821927364 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.89338821927364 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.89338821927364 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.89338821927364 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.89338821927364 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.89338821927364 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.77327844739303 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.77327844739303 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.77327844739303 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.77327844739303 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.77327844739303 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.77327844739303 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.77327844739303 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.77327844739303 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.77327844739303 32.065 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6310633 0.0000000 0.0000000 -0.0000000 5.6310633 0.0000000 0.0000000 0.0000000 4.8991550-------------------------- Born effective charges -------------------------- 1 Cs 1.1343181 0.0000000 0.0000000 0.0000000 1.1343181 0.0000000 0.0000000 0.0000000 2.2795104 2 Lu 4.3023187 0.0000000 0.0000000 -0.0000000 4.3023187 0.0000000 0.0000000 0.0000000 1.9743888 3 S -2.7183184 -0.0000000 0.0000000 -0.0000000 -2.7183184 0.0000000 0.0000000 0.0000000 -2.1269496 4 S -2.7183184 -0.0000000 0.0000000 -0.0000000 -2.7183184 0.0000000 0.0000000 0.0000000 -2.1269496----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:23:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:23:28]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.975401239347331 1.140498437294699 7.905793513333325 b -1.975401239347326 1.140498437294699 7.905793513333325 c 0.000000000000001 -2.280996874589402 7.905793513333325Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 3 S 0.22672155260697 0.22672155260697 0.22672155260697 32.065 4 S 0.77327844739303 0.77327844739303 0.77327844739303 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 11.852407436083972 0.000000000000000 0.000000000000000 b -5.926203718041984 10.264485935652303 0.000000000000000 c 0.000000000000000 0.000000000000000 23.717380540000001Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 28 29 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 28 30 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 28 31 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 28 32 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 28 33 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 28 34 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 28 35 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 28 36 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 28 37 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 28 38 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 28 39 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 28 40 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 28 41 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 28 42 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 28 43 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 28 44 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 28 45 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 28 46 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 28 47 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 28 48 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 28 49 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 28 50 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 28 51 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 28 52 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 28 53 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 28 54 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 28 55 S 0.00000000000000 0.00000000000000 0.22672155260697 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.22672155260697 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.22672155260697 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.22672155260697 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.22672155260697 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.22672155260697 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.22672155260697 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.22672155260697 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.22672155260697 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.10661178072636 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.10661178072636 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.10661178072636 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.10661178072636 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.10661178072636 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.10661178072636 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.10661178072636 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.10661178072636 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.10661178072636 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.56005488594031 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.56005488594031 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.56005488594031 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.56005488594031 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.56005488594031 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.56005488594031 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.56005488594031 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.56005488594031 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.56005488594031 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.43994511405969 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.43994511405969 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.43994511405969 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.43994511405969 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.43994511405969 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.43994511405969 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.43994511405969 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.43994511405969 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.43994511405969 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.89338821927364 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.89338821927364 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.89338821927364 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.89338821927364 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.89338821927364 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.89338821927364 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.89338821927364 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.89338821927364 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.89338821927364 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.77327844739303 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.77327844739303 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.77327844739303 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.77327844739303 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.77327844739303 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.77327844739303 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.77327844739303 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.77327844739303 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.77327844739303 32.065 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6310633 0.0000000 0.0000000 -0.0000000 5.6310633 0.0000000 0.0000000 0.0000000 4.8991550-------------------------- Born effective charges -------------------------- 1 Cs 1.1343181 0.0000000 0.0000000 0.0000000 1.1343181 0.0000000 0.0000000 0.0000000 2.2795104 2 Lu 4.3023187 0.0000000 0.0000000 -0.0000000 4.3023187 0.0000000 0.0000000 0.0000000 1.9743888 3 S -2.7183184 -0.0000000 0.0000000 -0.0000000 -2.7183184 0.0000000 0.0000000 0.0000000 -2.1269496 4 S -2.7183184 -0.0000000 0.0000000 -0.0000000 -2.7183184 0.0000000 0.0000000 0.0000000 -2.1269496----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 289, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.365 ( 16.856 9.732 -6.057) 20.385 0.376 ( 17.177 9.917 -4.172) 20.269 0.774 ( 31.613 18.252 13.522) 38.928 1.681 ( 1.256 0.725 0.604) 1.571 1.745 ( 6.337 3.659 -1.678) 7.507 3.087 ( -2.016 -1.164 1.895) 3.001 5.216 ( 2.509 1.449 0.249) 2.908 6.447 ( -2.887 -1.667 -0.221) 3.341 6.466 ( -1.249 -0.721 -0.059) 1.444 7.025 ( 5.536 3.196 -20.678) 21.644 8.204 ( -8.833 -5.100 5.796) 11.732 8.463 ( 1.917 1.107 0.664) 2.311======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 15.874 9.165 -5.738) 19.207 0.746 ( 16.893 9.753 -6.056) 20.425 1.451 ( 23.492 13.563 11.805) 29.584 1.729 ( 2.784 1.608 1.255) 3.451 1.965 ( 14.868 8.584 -3.010) 17.430 3.031 ( -2.961 -1.710 -0.198) 3.425 5.302 ( 5.001 2.887 0.309) 5.783 6.356 ( -4.821 -2.783 -0.770) 5.620 6.428 ( -1.941 -1.121 -0.055) 2.242 7.113 ( 5.383 3.108 -6.726) 9.159 7.999 ( -10.263 -5.925 2.407) 12.093 8.470 ( -1.100 -0.635 -1.749) 2.162======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.035 ( 13.241 7.645 -5.246) 16.165 1.096 ( 15.773 9.107 -7.843) 19.830 1.818 ( 4.886 2.821 1.807) 5.924 1.835 ( 9.933 5.735 4.675) 12.386 2.411 ( 22.601 13.049 -1.397) 26.134 2.968 ( -2.138 -1.234 2.264) 3.350 5.441 ( 7.211 4.163 0.103) 8.327 6.239 ( -4.883 -2.819 -1.839) 5.931 6.384 ( -1.843 -1.064 0.066) 2.130 7.214 ( 4.077 2.354 -0.123) 4.710 7.761 ( -11.112 -6.415 0.284) 12.834 8.413 ( -3.004 -1.734 -3.317) 4.799======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 9.040 5.219 -4.290) 11.285 1.407 ( 13.839 7.990 -8.534) 18.116 1.959 ( 7.071 4.083 1.812) 8.364 1.998 ( 4.776 2.757 -0.195) 5.518 2.746 ( 3.203 1.849 -2.803) 4.640 3.078 ( 13.929 8.042 7.252) 17.643 5.620 ( 8.552 4.937 -0.309) 9.880 6.144 ( -2.549 -1.472 -3.199) 4.347 6.350 ( -1.181 -0.682 0.326) 1.402 7.276 ( 0.199 0.115 5.299) 5.304 7.507 ( -10.660 -6.155 -3.505) 12.799 8.336 ( -2.584 -1.492 -3.686) 4.742======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 5.231 3.020 -2.897) 6.699 1.668 ( 11.332 6.543 -7.725) 15.195 2.072 ( 2.631 1.519 -2.424) 3.887 2.131 ( 7.402 4.273 1.239) 8.636 2.704 ( -4.542 -2.622 3.240) 6.165 3.439 ( 14.042 8.107 3.170) 16.521 5.812 ( 8.344 4.817 -0.781) 9.667 6.121 ( 1.612 0.930 -4.201) 4.595 6.333 ( -0.469 -0.271 0.684) 0.873 7.167 ( -11.888 -6.863 5.965) 14.967 7.346 ( -1.876 -1.083 -4.450) 4.949 8.290 ( -0.537 -0.310 -2.624) 2.697======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 2.694 1.556 -1.587) 3.493 1.864 ( 7.353 4.245 -5.252) 9.984 2.129 ( 3.878 2.239 -3.396) 5.620 2.281 ( 5.337 3.081 0.634) 6.195 2.584 ( -7.103 -4.101 5.490) 9.869 3.696 ( 8.191 4.729 1.052) 9.516 5.977 ( 6.229 3.596 -1.038) 7.267 6.196 ( 6.043 3.489 -4.235) 8.162 6.330 ( -0.126 -0.073 0.923) 0.934 6.885 ( -13.248 -7.649 2.246) 15.462 7.306 ( -1.374 -0.793 -1.087) 1.923 8.291 ( 0.774 0.447 -1.177) 1.478======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 0.841 0.485 -0.500) 1.092 1.956 ( 1.901 1.097 -1.555) 2.690 2.246 ( 7.125 4.114 -4.573) 9.413 2.365 ( 1.912 1.104 0.188) 2.215 2.425 ( -7.947 -4.588 5.330) 10.612 3.817 ( 2.614 1.509 0.183) 3.024 6.074 ( 2.362 1.364 -0.566) 2.786 6.330 ( -0.059 -0.034 0.516) 0.521 6.363 ( 9.644 5.568 -3.307) 11.616 6.603 ( -12.112 -6.993 2.211) 14.160 7.281 ( -0.592 -0.342 -0.265) 0.734 8.306 ( 0.486 0.281 -0.281) 0.627======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 0.000 18.964 12.725) 22.837 0.461 ( 0.000 20.285 11.560) 23.348 0.722 ( 0.000 34.698 4.009) 34.929 1.669 ( -0.000 0.957 -2.238) 2.434 1.752 ( 0.000 7.874 -0.046) 7.875 3.095 ( 0.000 -3.744 3.444) 5.087 5.217 ( 0.000 2.890 0.335) 2.909 6.444 ( -0.000 -3.231 -0.872) 3.346 6.465 ( -0.000 -1.472 -0.276) 1.498 6.929 ( -0.000 13.806 -38.775) 41.159 8.233 ( 0.000 -11.674 9.978) 15.357 8.473 ( 0.000 1.843 2.936) 3.467======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 1.634 15.892 10.497) 19.116 0.802 ( 5.878 23.184 -2.343) 24.032 1.269 ( 20.216 22.444 10.874) 32.104 1.699 ( 2.653 1.604 -1.881) 3.626 1.892 ( 5.652 12.739 -1.290) 13.996 3.045 ( -1.702 -3.413 -0.738) 3.885 5.274 ( 2.493 4.292 0.536) 4.992 6.382 ( -2.622 -4.344 -0.765) 5.131 6.441 ( -0.825 -1.596 -0.302) 1.822 7.018 ( 6.100 6.845 -18.395) 20.553 8.081 ( -6.657 -10.099 5.932) 13.472 8.482 ( -1.049 0.076 0.028) 1.052======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 10.035 10.857 3.363) 15.162 1.106 ( 5.882 20.879 -5.570) 22.395 1.733 ( 11.548 8.341 6.215) 15.542 1.781 ( 4.627 4.051 0.631) 6.182 2.231 ( 16.253 19.495 -1.133) 25.407 2.980 ( -1.456 -3.234 -0.624) 3.601 5.387 ( 4.879 5.613 0.547) 7.457 6.276 ( -4.149 -4.416 -1.291) 6.195 6.409 ( -1.449 -0.623 -0.260) 1.599 7.140 ( 6.376 3.410 -7.708) 10.568 7.865 ( -9.221 -9.153 3.526) 13.463 8.436 ( -2.860 -1.798 -2.128) 3.993======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 11.157 7.152 -0.563) 13.264 1.370 ( 5.598 16.864 -6.566) 18.943 1.897 ( 6.143 4.246 -0.512) 7.485 1.952 ( 5.135 5.155 2.546) 7.709 2.670 ( 11.172 12.035 -3.705) 16.834 2.986 ( 6.296 2.603 5.760) 8.922 5.547 ( 6.721 6.693 0.299) 9.489 6.165 ( -3.536 -3.208 -2.323) 5.309 6.383 ( -1.711 1.066 -0.206) 2.026 7.245 ( 4.735 0.983 -2.028) 5.244 7.616 ( -10.815 -8.639 1.541) 13.927 8.352 ( -3.138 -2.619 -3.189) 5.184======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( 8.136 4.860 -1.792) 9.645 1.590 ( 6.025 12.308 -6.518) 15.174 2.020 ( 4.267 1.437 -2.438) 5.120 2.091 ( 4.971 7.338 1.792) 9.043 2.748 ( -1.801 -0.543 0.117) 1.885 3.297 ( 14.421 10.294 4.472) 18.273 5.736 ( 7.323 7.109 -0.148) 10.207 6.099 ( -0.512 -0.995 -3.256) 3.443 6.372 ( -1.773 2.831 -0.092) 3.342 7.293 ( -1.246 -1.372 4.939) 5.275 7.348 ( -9.060 -7.567 -4.512) 12.637 8.280 ( -1.058 -2.349 -2.790) 3.798======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 3.921 4.013 -1.525) 5.814 1.778 ( 6.552 7.559 -5.490) 11.410 2.078 ( 3.184 0.939 -2.927) 4.425 2.252 ( 4.429 7.038 1.294) 8.416 2.679 ( -5.438 -1.642 3.407) 6.624 3.599 ( 10.027 6.470 1.934) 12.089 5.919 ( 6.184 6.428 -0.665) 8.945 6.119 ( 3.889 1.345 -3.355) 5.309 6.375 ( -1.900 4.127 -0.024) 4.543 7.047 ( -13.429 -7.072 1.607) 15.263 7.304 ( 0.037 -1.548 -1.286) 2.012 8.258 ( 1.474 -1.915 -1.449) 2.818======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 0.885 3.413 -0.889) 3.637 1.909 ( 4.151 2.424 -3.149) 5.746 2.156 ( 5.511 2.437 -3.488) 6.963 2.365 ( 1.574 4.071 1.379) 4.577 2.561 ( -8.220 0.301 3.506) 8.942 3.772 ( 5.103 2.336 0.849) 5.677 6.054 ( 3.397 4.682 -0.847) 5.846 6.227 ( 7.043 1.767 -2.032) 7.541 6.391 ( -1.233 5.672 -0.723) 5.850 6.764 ( -13.104 -5.447 1.607) 14.282 7.283 ( -0.472 -0.886 -0.642) 1.192 8.272 ( 2.273 -2.068 -0.344) 3.093======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( -1.207 2.484 -0.142) 2.766 1.953 ( 1.094 -0.702 -0.505) 1.395 2.259 ( 3.539 -1.180 -1.989) 4.227 2.370 ( -1.881 -0.718 1.570) 2.553 2.479 ( -5.607 8.121 0.019) 9.869 3.826 ( 0.358 -0.867 0.573) 1.099 6.109 ( -0.976 2.204 -0.136) 2.414 6.305 ( 1.297 -2.073 0.182) 2.452 6.497 ( 5.473 6.247 -2.261) 8.607 6.527 ( -9.356 0.744 2.385) 9.684 7.274 ( 0.235 -0.147 -0.267) 0.385 8.283 ( 1.600 -2.610 0.293) 3.075======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( -2.966 0.977 0.735) 3.208 1.931 ( -2.613 -2.221 2.117) 4.031 2.187 ( -4.795 -3.905 3.711) 7.212 2.353 ( -3.478 0.022 -1.484) 3.781 2.529 ( 2.317 8.222 -4.122) 9.484 3.769 ( -5.020 -3.359 0.147) 6.042 6.061 ( -5.561 -0.590 0.772) 5.645 6.244 ( -3.764 -5.188 1.996) 6.713 6.399 ( -5.479 4.003 1.334) 6.915 6.747 ( 11.432 8.707 -2.346) 14.561 7.287 ( 1.332 0.038 0.311) 1.369 8.277 ( 0.887 -2.836 0.988) 3.131======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( -4.876 -1.618 1.891) 5.475 1.824 ( -8.396 -2.434 5.111) 10.126 2.105 ( -2.771 -2.205 3.441) 4.938 2.241 ( -8.241 -0.784 -1.393) 8.395 2.645 ( 4.535 4.910 -4.652) 8.143 3.585 ( -11.551 -5.641 -1.182) 12.909 5.925 ( -8.726 -2.398 0.814) 9.086 6.149 ( -2.629 -3.157 3.508) 5.402 6.376 ( -3.078 4.232 0.139) 5.235 7.022 ( 11.995 7.969 -4.130) 14.982 7.319 ( 2.317 -0.597 2.006) 3.122 8.274 ( 1.358 -2.030 2.110) 3.228======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( -7.695 -5.551 3.360) 10.065 1.647 ( -12.815 0.014 6.794) 14.504 2.041 ( -4.319 -2.693 2.404) 5.629 2.073 ( -8.833 -1.216 -2.532) 9.269 2.743 ( 3.520 2.684 -1.187) 4.583 3.262 ( -17.905 -7.636 -3.790) 19.831 5.739 ( -9.915 -3.104 0.449) 10.400 6.126 ( 1.046 -0.601 3.165) 3.388 6.372 ( -1.734 3.331 -0.042) 3.756 7.231 ( 5.009 3.744 -8.438) 10.503 7.398 ( 7.994 1.107 5.894) 9.993 8.305 ( 2.964 -0.335 3.117) 4.314======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -11.540 -8.624 4.126) 14.986 1.429 ( -17.023 2.545 7.212) 18.663 1.896 ( -7.654 -1.640 -1.092) 7.903 1.928 ( -7.679 -3.481 -2.573) 8.815 2.704 ( -18.585 -4.064 4.355) 19.516 2.932 ( -1.931 -2.498 -6.753) 7.454 5.546 ( -9.243 -2.721 0.098) 9.636 6.183 ( 4.285 0.941 1.918) 4.788 6.383 ( -0.117 2.217 -0.031) 2.220 7.237 ( -1.518 -0.969 -3.697) 4.112 7.617 ( 11.866 3.440 1.763) 12.480 8.378 ( 3.897 0.831 2.945) 4.954======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -14.739 -7.877 3.103) 16.997 1.157 ( -20.895 3.251 5.994) 21.979 1.681 ( -16.682 -5.305 -5.190) 18.259 1.775 ( -4.878 -0.759 -1.062) 5.050 2.241 ( -24.460 -4.680 1.064) 24.927 2.979 ( 4.432 0.532 -0.622) 4.507 5.384 ( -7.357 -1.535 -0.076) 7.515 6.285 ( 5.734 1.031 0.687) 5.866 6.410 ( 1.270 1.037 -0.011) 1.640 7.173 ( -3.584 -1.309 -0.159) 3.819 7.849 ( 11.723 2.417 -0.018) 11.970 8.452 ( 2.761 0.656 1.576) 3.246======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.528 ( -16.106 0.000 0.000) 16.106 0.815 ( -23.114 0.000 0.000) 23.114 1.221 ( -31.182 0.000 0.000) 31.182 1.707 ( -2.674 0.000 0.000) 2.674 1.897 ( -13.799 0.000 0.000) 13.799 3.048 ( 3.210 -0.000 -0.000) 3.210 5.272 ( -4.974 0.000 0.000) 4.974 6.386 ( 5.112 -0.000 -0.000) 5.112 6.442 ( 1.809 -0.000 -0.000) 1.809 7.102 ( -3.858 0.000 0.000) 3.858 8.053 ( 10.803 -0.000 -0.000) 10.803 8.481 ( 0.014 -0.000 -0.000) 0.014======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 0.000 17.352 11.579) 20.861 0.916 ( 0.000 20.073 9.409) 22.169 1.358 ( 0.000 26.834 3.947) 27.123 1.682 ( -0.000 2.366 -4.345) 4.948 1.992 ( 0.000 17.408 0.088) 17.409 3.015 ( -0.000 -4.769 -2.221) 5.261 5.305 ( 0.000 5.878 0.641) 5.913 6.357 ( -0.000 -4.880 -0.618) 4.919 6.424 ( -0.000 -2.346 -0.526) 2.404 6.986 ( -0.000 8.045 -18.494) 20.168 8.044 ( 0.000 -12.044 5.817) 13.375 8.494 ( 0.000 -0.627 0.714) 0.950======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -4.666 16.723 11.964) 21.085 1.215 ( 4.787 19.448 0.425) 20.033 1.676 ( 7.448 12.244 3.979) 14.874 1.741 ( 5.094 5.942 -1.992) 8.076 2.246 ( 7.007 23.649 -0.450) 24.669 2.951 ( -0.537 -5.074 -2.708) 5.777 5.391 ( 2.325 7.251 0.818) 7.658 6.285 ( -2.559 -4.822 -0.627) 5.495 6.405 ( 0.441 -1.663 -0.480) 1.786 7.049 ( 4.660 4.553 -12.510) 14.105 7.899 ( -4.922 -11.353 4.682) 13.230 8.462 ( -2.459 -1.835 -0.492) 3.107======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 1.059 13.410 7.601) 15.450 1.454 ( 3.139 17.082 -3.720) 17.762 1.829 ( 5.866 4.583 -2.757) 7.938 1.938 ( 5.324 7.618 3.795) 10.039 2.630 ( 9.444 19.140 -3.823) 21.682 2.923 ( 3.878 -0.818 2.772) 4.837 5.528 ( 4.500 8.393 0.945) 9.570 6.186 ( -3.504 -3.723 -1.358) 5.290 6.405 ( 0.331 0.515 -0.574) 0.839 7.141 ( 6.079 0.735 -7.538) 9.712 7.696 ( -7.996 -10.033 3.901) 13.409 8.379 ( -4.012 -2.762 -1.864) 5.216======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 3.996 9.750 3.576) 11.128 1.636 ( 2.402 13.292 -4.519) 14.243 1.953 ( 4.768 2.636 -3.169) 6.303 2.097 ( 4.430 8.249 2.420) 9.671 2.756 ( 0.373 0.511 -2.897) 2.965 3.188 ( 13.012 12.928 4.545) 18.897 5.705 ( 5.821 8.992 0.835) 10.744 6.102 ( -2.260 -1.636 -2.185) 3.544 6.422 ( -0.220 3.171 -0.941) 3.315 7.214 ( 5.196 -2.305 -5.319) 7.785 7.462 ( -10.222 -8.161 4.038) 13.689 8.279 ( -3.173 -3.115 -2.400) 5.054======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 3.831 7.431 1.348) 8.468 1.774 ( 2.492 9.153 -3.749) 10.200 2.022 ( 3.271 0.690 -3.459) 4.810 2.263 ( 4.140 8.394 2.161) 9.605 2.743 ( -1.806 0.369 0.847) 2.029 3.504 ( 10.098 8.508 1.994) 13.354 5.891 ( 5.562 8.402 0.412) 10.085 6.079 ( 1.098 0.875 -2.393) 2.775 6.449 ( -1.092 5.079 -1.391) 5.378 7.177 ( -7.425 -7.069 -3.665) 10.888 7.281 ( -1.496 -2.196 3.344) 4.272 8.212 ( -0.150 -3.283 -1.804) 3.749======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 1.405 6.289 0.260) 6.449 1.874 ( 2.424 4.067 -2.363) 5.292 2.084 ( 4.401 1.417 -2.995) 5.509 2.386 ( 1.668 4.155 2.514) 5.135 2.711 ( -5.076 4.997 1.176) 7.220 3.701 ( 6.366 2.900 0.848) 7.046 6.044 ( 3.884 6.195 -0.203) 7.314 6.145 ( 4.660 2.804 -1.548) 5.654 6.472 ( -1.736 5.448 -1.924) 6.033 6.937 ( -12.009 -3.874 0.689) 12.637 7.272 ( 0.487 -1.238 -0.163) 1.340 8.197 ( 2.519 -3.811 -0.763) 4.631======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -1.313 5.305 -0.015) 5.465 1.921 ( 1.583 0.166 -1.130) 1.952 2.173 ( 4.948 0.611 -2.605) 5.625 2.403 ( -1.814 -0.907 2.662) 3.347 2.688 ( -7.054 11.145 -0.047) 13.190 3.789 ( 3.095 -1.139 0.758) 3.384 6.140 ( 1.124 4.205 -0.013) 4.352 6.244 ( 4.125 0.438 -0.348) 4.163 6.497 ( 0.483 4.332 -2.612) 5.082 6.731 ( -11.233 2.689 2.179) 11.754 7.269 ( 0.121 -0.242 -0.526) 0.591 8.206 ( 3.203 -4.511 0.048) 5.533======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( -3.605 3.661 0.264) 5.145 1.931 ( 0.427 -1.255 0.070) 1.327 2.201 ( -0.134 -3.682 0.080) 3.686 2.372 ( -0.897 0.412 -0.375) 1.056 2.680 ( -7.193 11.827 -0.981) 13.878 3.790 ( -0.844 -3.189 0.853) 3.407 6.146 ( -3.660 1.107 0.586) 3.869 6.253 ( -1.591 -2.996 0.668) 3.458 6.528 ( -2.197 1.878 0.566) 2.945 6.702 ( 1.483 11.323 -0.722) 11.442 7.270 ( 0.485 -0.293 -0.411) 0.700 8.212 ( 2.720 -4.706 0.705) 5.480======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( -5.713 0.942 0.831) 5.850 1.906 ( -2.485 -1.238 1.415) 3.116 2.138 ( -2.526 -2.991 2.842) 4.838 2.343 ( -3.779 -0.001 -2.101) 4.324 2.679 ( -3.597 8.392 -2.443) 9.451 3.696 ( -6.716 -3.978 0.317) 7.813 6.053 ( -7.508 -0.700 0.871) 7.591 6.173 ( -3.311 -3.207 1.615) 4.885 6.501 ( -4.854 4.987 1.287) 7.077 6.907 ( 9.445 9.039 -2.704) 13.350 7.278 ( 1.503 -1.491 0.416) 2.158 8.216 ( 2.634 -3.745 1.435) 4.798======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( -7.974 -1.939 1.556) 8.352 1.829 ( -6.643 0.312 2.645) 7.157 2.083 ( -2.696 -1.811 2.971) 4.402 2.223 ( -9.174 -0.151 -1.889) 9.367 2.715 ( 1.510 3.928 -2.381) 4.836 3.478 ( -14.418 -4.301 -0.872) 15.071 5.891 ( -10.292 -1.389 0.416) 10.393 6.119 ( -0.649 -1.511 1.993) 2.584 6.467 ( -4.657 4.110 0.688) 6.250 7.142 ( 9.075 7.180 -5.911) 12.995 7.299 ( 3.865 -3.178 3.698) 6.222 8.246 ( 3.632 -1.773 1.934) 4.481======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( -10.917 -2.819 1.605) 11.389 1.701 ( -10.760 1.466 2.847) 11.227 2.007 ( -5.472 -1.734 1.727) 5.994 2.044 ( -10.453 -0.180 -2.319) 10.708 2.791 ( 4.256 1.862 0.423) 4.664 3.123 ( -21.903 -3.879 -2.220) 22.355 5.698 ( -10.758 -1.146 0.108) 10.819 6.132 ( 2.504 -0.112 1.153) 2.760 6.432 ( -3.037 1.967 0.211) 3.625 7.235 ( 0.237 0.774 -3.605) 3.694 7.440 ( 11.927 0.612 2.211) 12.145 8.314 ( 4.697 -0.174 1.476) 4.927======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( -13.990 0.000 0.000) 13.990 1.492 ( -15.843 0.000 0.000) 15.843 1.872 ( -9.847 0.000 0.000) 9.847 1.878 ( -8.033 0.000 0.000) 8.033 2.670 ( -27.283 0.000 0.000) 27.283 2.893 ( 5.601 -0.000 -0.000) 5.601 5.519 ( -9.490 0.000 0.000) 9.490 6.198 ( 4.875 -0.000 -0.000) 4.875 6.409 ( -0.693 0.000 0.000) 0.693 7.214 ( -2.025 0.000 0.000) 2.025 7.656 ( 12.359 -0.000 -0.000) 12.359 8.395 ( 4.419 -0.000 -0.000) 4.419======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( 0.000 12.648 9.071) 15.564 1.336 ( 0.000 18.037 6.528) 19.182 1.727 ( -0.000 5.775 -5.230) 7.791 1.773 ( 0.000 14.262 3.271) 14.633 2.433 ( 0.000 26.300 -0.840) 26.314 2.889 ( -0.000 -6.117 -3.135) 6.874 5.451 ( 0.000 8.601 0.804) 8.638 6.265 ( -0.000 -4.050 0.095) 4.051 6.373 ( -0.000 -2.321 -0.659) 2.413 7.016 ( -0.000 3.458 -11.953) 12.443 7.837 ( 0.000 -11.892 4.009) 12.549 8.465 ( -0.000 -2.272 0.004) 2.272======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( -3.938 10.941 8.040) 14.137 1.556 ( 2.973 14.866 1.415) 15.226 1.803 ( 2.498 7.889 -3.966) 9.176 1.943 ( 4.312 8.964 2.753) 10.321 2.695 ( 2.627 14.601 -7.535) 16.640 2.869 ( 3.949 4.747 4.580) 7.689 5.562 ( 2.289 9.591 0.940) 9.905 6.204 ( -2.775 -2.846 -0.316) 3.987 6.375 ( 2.316 -0.980 -0.565) 2.577 7.037 ( 3.540 0.227 -9.232) 9.890 7.702 ( -3.670 -10.960 3.391) 12.045 8.414 ( -3.139 -2.563 -0.598) 4.097======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -0.706 9.239 5.709) 10.884 1.721 ( 1.422 11.781 -1.333) 11.941 1.912 ( 2.852 5.500 -3.814) 7.275 2.107 ( 4.867 8.279 2.074) 9.826 2.721 ( 1.756 -2.550 -4.360) 5.348 3.160 ( 8.847 17.892 3.917) 20.340 5.717 ( 4.193 10.126 1.186) 11.024 6.130 ( -3.108 -1.042 -1.172) 3.481 6.421 ( 2.789 1.594 -1.107) 3.398 7.077 ( 5.218 -3.225 -6.595) 9.007 7.529 ( -6.153 -8.960 3.285) 11.355 8.315 ( -4.795 -2.612 -1.395) 5.636======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 1.775 8.259 3.953) 9.327 1.831 ( 0.541 8.194 -1.412) 8.332 1.973 ( 2.108 1.992 -4.647) 5.478 2.279 ( 4.474 8.125 2.543) 9.618 2.738 ( 2.876 -0.175 -0.791) 2.988 3.455 ( 7.352 11.706 1.680) 13.925 5.896 ( 4.684 9.593 1.183) 10.741 6.086 ( -1.306 1.234 -1.559) 2.379 6.484 ( 1.760 3.565 -2.276) 4.581 7.104 ( 4.277 -5.178 -4.708) 8.201 7.352 ( -6.864 -5.656 3.628) 9.606 8.208 ( -3.780 -2.803 -1.705) 5.005======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 1.705 7.785 2.491) 8.350 1.890 ( 0.068 3.585 -0.564) 3.630 2.022 ( 3.290 1.837 -3.786) 5.342 2.400 ( 1.853 3.228 2.933) 4.739 2.809 ( 1.522 6.892 -0.016) 7.058 3.636 ( 4.758 4.173 0.347) 6.338 6.047 ( 3.002 6.608 0.481) 7.274 6.116 ( 2.428 4.094 -0.831) 4.832 6.524 ( -0.095 2.827 -3.350) 4.385 7.061 ( -4.401 -2.404 -1.216) 5.160 7.250 ( -0.651 -2.328 1.912) 3.082 8.134 ( -0.654 -3.776 -1.351) 4.064======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( -0.591 7.238 1.107) 7.345 1.908 ( 0.121 0.523 -0.354) 0.643 2.094 ( 4.209 0.612 -1.971) 4.687 2.424 ( -0.751 -0.692 2.369) 2.580 2.901 ( -2.965 13.076 -0.294) 13.411 3.713 ( 3.599 -2.090 0.196) 4.167 6.149 ( 3.028 4.734 0.502) 5.642 6.202 ( 2.270 3.039 -0.378) 3.812 6.516 ( -0.771 -0.134 -3.310) 3.401 6.951 ( -8.801 5.013 1.505) 10.240 7.256 ( 1.273 -0.413 -0.066) 1.340 8.103 ( 2.424 -5.238 -0.613) 5.804======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( -3.626 5.894 0.537) 6.941 1.911 ( 0.504 -0.642 -0.230) 0.848 2.141 ( 2.659 -2.676 -1.133) 3.939 2.399 ( -1.566 -0.264 1.069) 1.915 2.940 ( -8.071 13.690 -0.641) 15.905 3.734 ( 3.038 -4.786 0.724) 5.715 6.207 ( -1.986 1.722 0.180) 2.635 6.243 ( 1.237 0.385 0.829) 1.538 6.509 ( 2.316 -0.483 -2.061) 3.138 6.893 ( -7.385 10.804 1.537) 13.177 7.263 ( -0.086 -0.278 -0.824) 0.874 8.104 ( 3.877 -5.673 0.178) 6.873======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( -6.422 2.937 0.458) 7.077 1.912 ( 0.268 -0.616 0.007) 0.672 2.131 ( 0.348 -3.250 0.210) 3.275 2.378 ( -1.512 0.339 -0.535) 1.639 2.892 ( -10.267 9.394 -0.861) 13.943 3.721 ( -0.332 -3.858 0.771) 3.948 6.151 ( -4.384 -0.815 0.629) 4.503 6.217 ( -4.044 -0.878 0.674) 4.193 6.567 ( 2.577 1.571 -0.045) 3.018 6.925 ( -1.505 11.044 -0.059) 11.146 7.246 ( 0.058 -2.232 -0.713) 2.343 8.123 ( 4.029 -4.239 0.737) 5.894======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -8.172 0.219 0.430) 8.186 1.900 ( -1.683 -0.069 0.318) 1.714 2.107 ( -0.856 -1.285 1.234) 1.977 2.333 ( -4.247 -0.044 -0.988) 4.360 2.797 ( -7.283 3.798 -0.866) 8.259 3.634 ( -7.292 -2.017 0.189) 7.569 6.046 ( -8.179 -0.375 0.414) 8.198 6.137 ( -3.021 -1.067 0.596) 3.259 6.581 ( -3.418 2.152 0.581) 4.080 7.056 ( 6.547 6.687 -1.833) 9.536 7.229 ( 1.411 -3.483 0.673) 3.818 8.164 ( 4.188 -1.798 0.768) 4.622======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( -9.425 0.000 0.000) 9.425 1.844 ( -5.365 0.000 0.000) 5.365 2.073 ( -2.906 0.000 0.000) 2.906 2.216 ( -9.316 0.000 0.000) 9.316 2.751 ( 0.279 -0.000 -0.000) 0.279 3.429 ( -15.689 0.000 0.000) 15.689 5.878 ( -10.833 0.000 0.000) 10.833 6.110 ( 0.063 -0.000 -0.000) 0.063 6.514 ( -5.061 0.000 0.000) 5.061 7.227 ( 0.922 -0.000 -0.000) 0.922 7.246 ( 11.136 -0.000 -0.000) 11.136 8.233 ( 4.683 -0.000 -0.000) 4.683======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 0.000 4.704 2.995) 5.576 1.676 ( 0.000 13.619 3.672) 14.106 1.875 ( 0.000 11.197 -1.983) 11.371 1.991 ( 0.000 7.491 0.261) 7.496 2.687 ( -0.000 -4.612 -7.347) 8.674 2.998 ( 0.000 22.561 5.084) 23.127 5.640 ( 0.000 10.076 0.587) 10.093 6.215 ( -0.000 -0.938 0.132) 0.947 6.332 ( -0.000 -1.456 -0.474) 1.531 6.978 ( -0.000 -1.537 -8.208) 8.350 7.632 ( 0.000 -10.742 2.332) 10.992 8.417 ( -0.000 -2.314 -0.196) 2.322======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 0.062 3.865 1.649) 4.202 1.809 ( 0.584 10.037 1.968) 10.245 1.960 ( -1.445 8.224 -3.331) 8.990 2.103 ( 5.091 7.562 -0.319) 9.122 2.631 ( 2.027 -5.806 -2.851) 6.778 3.261 ( 3.347 20.795 3.383) 21.333 5.762 ( 2.549 10.101 0.568) 10.433 6.179 ( -3.188 0.563 -0.613) 3.295 6.364 ( 4.091 0.185 -0.612) 4.140 6.955 ( 2.706 -4.036 -5.927) 7.665 7.517 ( -2.455 -9.366 1.650) 9.822 8.365 ( -3.508 -1.883 -0.480) 4.010======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 2.435 4.654 2.029) 5.631 1.894 ( -0.190 5.192 1.522) 5.414 1.980 ( -0.802 4.613 -6.448) 7.969 2.282 ( 5.355 8.142 1.795) 9.909 2.643 ( 5.469 -3.075 -0.269) 6.280 3.502 ( 3.143 14.736 1.832) 15.179 5.920 ( 4.122 9.582 0.833) 10.464 6.136 ( -2.853 2.243 -1.077) 3.786 6.447 ( 4.480 1.635 -2.068) 5.198 6.957 ( 4.800 -5.575 -3.162) 8.007 7.386 ( -3.758 -6.952 1.325) 8.013 8.268 ( -5.552 -1.485 -0.938) 5.824======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 3.701 5.716 2.492) 7.251 1.914 ( -0.275 0.409 0.395) 0.632 2.009 ( 0.415 4.659 -4.461) 6.464 2.407 ( 1.702 2.978 2.987) 4.549 2.771 ( 9.089 4.030 -0.271) 9.946 3.646 ( 0.622 7.298 0.368) 7.333 6.071 ( 2.774 7.256 0.703) 7.800 6.135 ( -0.036 4.438 -0.632) 4.483 6.510 ( 2.138 0.293 -3.801) 4.371 7.001 ( 6.265 -3.068 -0.533) 6.996 7.272 ( -3.572 -3.873 1.202) 5.404 8.155 ( -5.318 -1.830 -1.223) 5.756======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( 2.240 6.559 1.838) 7.171 1.912 ( 0.024 -0.462 0.237) 0.520 2.047 ( 1.325 1.635 -1.850) 2.802 2.432 ( -0.299 -0.396 2.067) 2.126 2.989 ( 7.301 10.287 -0.092) 12.615 3.670 ( -1.374 -0.475 -0.389) 1.505 6.153 ( 1.657 4.797 0.551) 5.105 6.211 ( 1.634 4.665 -0.049) 4.943 6.499 ( -0.220 -2.914 -3.674) 4.695 7.082 ( 1.142 3.825 0.555) 4.030 7.217 ( 0.842 -1.714 0.978) 2.146 8.054 ( -2.830 -3.452 -1.132) 4.605======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( -1.244 6.654 0.835) 6.820 1.906 ( -0.470 -0.226 0.223) 0.567 2.068 ( 2.116 -2.739 -0.629) 3.517 2.419 ( -0.907 -0.416 0.868) 1.323 3.173 ( -1.373 14.235 -0.210) 14.303 3.620 ( 1.701 -7.390 -0.042) 7.584 6.230 ( 1.209 1.718 0.653) 2.200 6.255 ( -0.046 3.954 0.412) 3.975 6.454 ( 0.939 -3.609 -2.557) 4.522 7.100 ( -4.598 7.593 1.348) 8.979 7.252 ( 1.647 -0.060 -0.383) 1.692 7.997 ( 1.443 -4.822 -0.511) 5.059======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( -6.401 3.570 0.497) 7.346 1.900 ( 0.382 -0.159 -0.088) 0.423 2.074 ( 2.538 -2.856 -0.390) 3.840 2.403 ( -1.130 0.136 0.186) 1.154 3.167 ( -11.776 8.191 -0.440) 14.351 3.631 ( 6.139 -4.773 0.452) 7.789 6.204 ( -3.035 -0.577 -0.090) 3.091 6.280 ( -2.492 1.293 0.903) 2.949 6.486 ( 5.861 -0.601 -0.993) 5.974 7.103 ( -5.159 8.730 1.550) 10.258 7.229 ( -1.683 -3.166 -1.415) 3.854 8.011 ( 4.627 -3.067 0.124) 5.553======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -8.106 0.000 0.000) 8.106 1.907 ( 0.305 -0.000 -0.000) 0.305 2.095 ( 1.338 -0.000 -0.000) 1.338 2.379 ( -1.894 0.000 0.000) 1.894 2.991 ( -12.274 0.000 0.000) 12.274 3.678 ( 0.725 -0.000 -0.000) 0.725 6.141 ( -3.951 0.000 0.000) 3.951 6.213 ( -5.462 0.000 0.000) 5.462 6.583 ( 4.312 -0.000 -0.000) 4.312 7.072 ( -3.767 0.000 0.000) 3.767 7.190 ( 0.657 -0.000 -0.000) 0.657 8.079 ( 4.807 -0.000 -0.000) 4.807======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -0.000 1.440 -1.035) 1.773 1.900 ( 0.000 7.349 2.284) 7.695 2.062 ( -0.000 1.920 -7.988) 8.215 2.096 ( 0.000 10.836 0.360) 10.842 2.553 ( 0.000 -5.384 1.485) 5.585 3.444 ( 0.000 19.259 3.027) 19.495 5.833 ( 0.000 9.059 -0.223) 9.062 6.229 ( -0.000 2.588 -1.475) 2.979 6.317 ( 0.000 0.075 0.249) 0.261 6.874 ( -0.000 -5.109 -3.814) 6.376 7.449 ( -0.000 -8.714 0.438) 8.725 8.380 ( -0.000 -1.277 -0.172) 1.288======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 2.738 1.572 -0.804) 3.258 1.941 ( -1.027 0.857 0.031) 1.338 2.030 ( -1.514 4.390 -7.166) 8.539 2.263 ( 6.353 8.287 0.025) 10.442 2.537 ( 2.483 -3.735 3.646) 5.780 3.627 ( 0.508 14.783 2.171) 14.950 5.942 ( 3.280 7.860 -0.350) 8.524 6.213 ( -3.311 3.293 -1.610) 4.940 6.375 ( 4.502 1.232 -0.961) 4.765 6.833 ( 2.372 -5.770 -1.075) 6.331 7.360 ( -1.304 -7.033 -0.234) 7.157 8.338 ( -3.688 -0.686 -0.295) 3.763======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( 5.590 2.489 0.591) 6.147 1.912 ( -0.249 -1.662 -2.178) 2.751 2.050 ( -0.605 4.484 -3.066) 5.465 2.419 ( 2.230 4.193 2.311) 5.281 2.616 ( 10.052 0.066 0.992) 10.101 3.742 ( -1.509 8.971 0.972) 9.148 6.082 ( 4.317 6.559 -0.005) 7.852 6.196 ( -2.198 4.195 -1.109) 4.864 6.449 ( 3.456 -0.182 -2.826) 4.468 6.850 ( 6.166 -4.333 1.182) 7.629 7.276 ( -1.624 -4.481 -0.407) 4.783 8.246 ( -6.253 -0.371 -0.554) 6.289======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 6.397 3.112 1.180) 7.211 1.899 ( 0.520 -1.006 -0.680) 1.321 2.066 ( -0.880 2.391 -1.420) 2.917 2.445 ( -0.811 0.223 1.991) 2.162 2.860 ( 14.602 4.122 -0.112) 15.173 3.748 ( -5.072 3.171 0.005) 5.981 6.185 ( 0.984 4.741 0.335) 4.854 6.228 ( 1.302 4.103 -0.404) 4.324 6.456 ( 0.379 -3.109 -2.809) 4.207 6.975 ( 10.476 -0.622 1.242) 10.567 7.221 ( -1.236 -1.546 -0.066) 1.980 8.124 ( -7.191 -0.817 -0.713) 7.272======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 4.530 3.324 0.371) 5.631 1.901 ( 0.943 -0.497 0.313) 1.111 2.050 ( -2.212 -0.472 -0.282) 2.279 2.431 ( -0.901 -0.239 0.612) 1.115 3.156 ( 14.344 5.420 0.072) 15.334 3.636 ( -8.669 -1.782 -0.302) 8.855 6.238 ( 0.609 2.490 0.835) 2.696 6.286 ( 1.495 3.627 -0.142) 3.926 6.403 ( -0.912 -4.355 -1.819) 4.807 7.155 ( 7.991 2.013 0.115) 8.241 7.203 ( -0.036 -0.007 0.579) 0.581 7.997 ( -5.476 -1.587 -0.520) 5.725======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -0.024 0.000 0.000) 0.024 1.971 ( -5.550 0.000 0.000) 5.550 1.992 ( 4.717 -0.000 -0.000) 4.717 2.418 ( -0.697 0.000 0.000) 0.697 3.430 ( -12.570 0.000 0.000) 12.570 3.431 ( 12.855 -0.000 -0.000) 12.855 6.241 ( -1.450 0.000 0.000) 1.450 6.332 ( -2.347 0.000 0.000) 2.347 6.380 ( 5.082 -0.000 -0.000) 5.082 7.196 ( -0.646 0.000 0.000) 0.646 7.244 ( -0.356 0.000 0.000) 0.356 7.941 ( 0.729 -0.000 -0.000) 0.729======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -0.000 0.611 -1.623) 1.734 1.924 ( -0.000 -4.118 -5.508) 6.877 2.067 ( -0.000 4.088 -4.039) 5.747 2.277 ( 0.000 7.161 0.561) 7.182 2.507 ( 0.000 -1.993 5.322) 5.683 3.763 ( 0.000 11.900 1.929) 12.055 5.972 ( -0.000 5.358 -1.081) 5.466 6.282 ( -0.000 3.928 -4.037) 5.632 6.339 ( 0.000 1.656 1.039) 1.955 6.760 ( 0.000 -5.332 1.380) 5.508 7.303 ( -0.000 -5.958 -0.981) 6.038 8.365 ( -0.000 -0.274 -0.079) 0.285======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 4.337 0.816 -0.672) 4.464 1.870 ( 0.774 -3.581 -4.760) 6.006 2.090 ( -0.492 2.944 -1.666) 3.418 2.397 ( 6.198 5.162 0.022) 8.066 2.511 ( 1.230 -1.788 3.852) 4.421 3.854 ( -1.326 7.466 1.140) 7.668 6.053 ( 4.463 3.764 -0.807) 5.893 6.273 ( -2.667 3.393 -2.286) 4.884 6.393 ( 2.751 1.026 -1.055) 3.120 6.740 ( 2.614 -3.909 2.559) 5.354 7.247 ( -0.368 -3.916 -1.007) 4.061 8.332 ( -3.742 0.003 -0.127) 3.744======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 7.214 1.007 0.333) 7.291 1.862 ( 1.970 -1.410 -1.691) 2.955 2.097 ( -0.785 1.402 -0.744) 1.770 2.473 ( -1.159 0.785 1.286) 1.901 2.636 ( 13.501 0.883 0.224) 13.531 3.862 ( -4.078 2.973 0.329) 5.057 6.171 ( 5.205 2.531 -0.173) 5.790 6.260 ( -1.497 2.183 -0.852) 2.781 6.420 ( 0.710 -0.900 -1.113) 1.598 6.803 ( 7.730 -1.512 1.408) 8.002 7.214 ( -0.109 -1.476 -0.476) 1.555 8.242 ( -6.689 0.016 -0.188) 6.692======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 7.418 -0.000 -0.000) 7.418 1.885 ( 1.325 -0.000 -0.000) 1.325 2.084 ( -1.475 0.000 0.000) 1.475 2.452 ( -1.508 0.000 0.000) 1.508 2.903 ( 16.650 -0.000 -0.000) 16.650 3.777 ( -7.442 0.000 0.000) 7.442 6.254 ( -0.437 0.000 0.000) 0.437 6.258 ( 3.386 -0.000 -0.000) 3.386 6.404 ( -1.342 0.000 0.000) 1.342 6.973 ( 12.060 -0.000 -0.000) 12.060 7.208 ( 0.008 -0.000 -0.000) 0.008 8.114 ( -8.076 0.000 0.000) 8.076======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -0.000 0.188 -0.689) 0.714 1.815 ( -0.000 -2.605 -3.347) 4.241 2.112 ( -0.000 1.405 -0.703) 1.571 2.374 ( 0.000 2.476 0.216) 2.485 2.508 ( 0.000 -0.512 2.209) 2.267 3.925 ( 0.000 3.971 0.668) 4.027 6.032 ( -0.000 1.527 -0.624) 1.649 6.321 ( -0.000 1.814 -2.856) 3.383 6.376 ( 0.000 1.104 0.594) 1.254 6.697 ( 0.000 -2.153 2.210) 3.085 7.216 ( -0.000 -2.204 -0.745) 2.326 8.364 ( -0.000 0.040 -0.015) 0.042======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 5.060 -0.000 -0.000) 5.060 1.814 ( 1.869 -0.000 -0.000) 1.869 2.113 ( -0.468 0.000 0.000) 0.468 2.454 ( 7.854 -0.000 -0.000) 7.854 2.500 ( -0.925 0.000 0.000) 0.925 3.929 ( -1.946 0.000 0.000) 1.946 6.086 ( 5.116 -0.000 -0.000) 5.116 6.301 ( -2.072 0.000 0.000) 2.072 6.400 ( 1.349 -0.000 -0.000) 1.349 6.710 ( 2.769 -0.000 -0.000) 2.769 7.205 ( 0.068 -0.000 -0.000) 0.068 8.332 ( -3.748 0.000 0.000) 3.748======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.175 ( 0.000 0.000 20.711) 20.711 0.175 ( 0.000 0.000 20.711) 20.711 0.350 ( 0.000 0.000 41.445) 41.445 1.660 ( -0.000 -0.000 -1.664) 1.664 1.660 ( -0.000 -0.000 -1.664) 1.664 3.610 ( -0.000 -0.000 -5.029) 5.029 5.190 ( 0.000 0.000 0.604) 0.604 5.190 ( 0.000 0.000 0.604) 0.604 6.479 ( -0.000 -0.000 -0.339) 0.339 6.479 ( -0.000 -0.000 -0.339) 0.339 8.408 ( 0.000 0.000 0.766) 0.766 8.647 ( -0.000 -0.000 -0.242) 0.242======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.356 ( 13.747 7.937 4.184) 16.416 0.423 ( 11.071 6.392 14.184) 19.095 0.923 ( 28.704 16.572 21.203) 39.346 1.680 ( 1.708 0.986 -1.020) 2.220 1.723 ( 5.976 3.450 -3.465) 7.722 3.118 ( -6.598 -3.809 4.295) 8.746 5.221 ( 2.492 1.439 0.794) 2.986 6.439 ( -2.363 -1.364 -2.072) 3.426 6.464 ( -1.219 -0.704 -0.389) 1.461 6.686 ( 29.315 16.925 -48.955) 59.518 8.283 ( -11.963 -6.907 9.241) 16.619 8.482 ( -1.216 -0.702 3.266) 3.555======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 14.882 8.592 -0.772) 17.202 0.734 ( 13.789 7.961 3.525) 16.308 1.561 ( 20.486 11.828 13.856) 27.415 1.733 ( 3.250 1.876 -0.248) 3.761 1.935 ( 15.670 9.047 -3.891) 18.508 3.024 ( -2.947 -1.701 -1.771) 3.836 5.306 ( 4.898 2.828 0.753) 5.706 6.347 ( -4.992 -2.882 -1.357) 5.922 6.426 ( -1.877 -1.083 -0.365) 2.197 7.004 ( 11.923 6.883 -17.847) 22.540 8.038 ( -11.879 -6.858 6.173) 15.042 8.456 ( -1.977 -1.142 -1.602) 2.789======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( 12.834 7.410 -2.344) 15.004 1.050 ( 14.036 8.104 -2.586) 16.413 1.828 ( 5.246 3.029 0.564) 6.084 1.867 ( 7.547 4.357 2.695) 9.122 2.404 ( 21.948 12.672 -0.170) 25.344 2.982 ( 0.276 0.159 0.998) 1.048 5.443 ( 7.027 4.057 0.455) 8.127 6.222 ( -5.273 -3.045 -2.098) 6.440 6.383 ( -1.730 -0.999 -0.216) 2.009 7.183 ( 7.295 4.212 -6.836) 10.848 7.778 ( -12.446 -7.186 3.598) 14.815 8.385 ( -3.368 -1.944 -3.182) 5.025======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( 9.094 5.251 -2.787) 10.865 1.346 ( 13.161 7.599 -5.671) 16.221 1.971 ( 7.134 4.119 1.033) 8.302 1.991 ( 3.853 2.225 -1.366) 4.654 2.724 ( 4.975 2.872 -2.275) 6.178 3.135 ( 13.197 7.619 6.182) 16.445 5.619 ( 8.323 4.805 -0.032) 9.610 6.117 ( -2.976 -1.718 -3.036) 4.586 6.352 ( -1.015 -0.586 0.093) 1.176 7.290 ( 3.261 1.883 -2.528) 4.536 7.497 ( -13.173 -7.605 1.727) 15.308 8.307 ( -2.405 -1.389 -3.070) 4.140======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( 5.558 3.209 -2.412) 6.856 1.607 ( 11.487 6.632 -6.470) 14.758 2.052 ( 2.378 1.373 -2.392) 3.641 2.141 ( 7.262 4.192 0.934) 8.437 2.726 ( -3.017 -1.742 1.923) 3.979 3.468 ( 12.971 7.489 3.536) 15.389 5.806 ( 8.131 4.695 -0.611) 9.409 6.087 ( 1.389 0.802 -3.594) 3.935 6.339 ( -0.288 -0.166 0.558) 0.650 7.198 ( -13.548 -7.822 0.340) 15.647 7.318 ( -0.089 -0.051 -1.103) 1.108 8.272 ( -0.065 -0.038 -1.654) 1.656======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 3.081 1.779 -1.682) 3.935 1.818 ( 8.399 4.849 -5.671) 11.234 2.104 ( 3.403 1.964 -2.497) 4.655 2.286 ( 5.177 2.989 0.598) 6.007 2.624 ( -6.555 -3.785 3.904) 8.517 3.708 ( 7.636 4.408 1.865) 9.012 5.968 ( 6.179 3.567 -1.089) 7.218 6.163 ( 6.143 3.547 -3.401) 7.867 6.338 ( -0.070 -0.041 1.020) 1.023 6.897 ( -13.115 -7.572 0.562) 15.154 7.297 ( -1.094 -0.631 -0.981) 1.599 8.285 ( 1.088 0.628 -0.292) 1.290======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( 1.240 0.716 -0.870) 1.676 1.938 ( 3.336 1.926 -2.870) 4.803 2.208 ( 6.548 3.780 -4.357) 8.727 2.367 ( 1.767 1.020 0.269) 2.058 2.467 ( -8.000 -4.619 4.482) 10.267 3.824 ( 2.335 1.348 1.338) 3.010 6.067 ( 2.710 1.565 -0.997) 3.285 6.336 ( -0.378 -0.218 0.990) 1.082 6.338 ( 9.939 5.738 -2.716) 11.793 6.620 ( -11.614 -6.706 1.921) 13.548 7.276 ( -0.361 -0.208 -0.743) 0.852 8.306 ( 0.611 0.353 0.405) 0.814======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -0.399 -0.230 0.041) 0.462 1.964 ( -0.535 -0.309 0.312) 0.692 2.279 ( -5.629 -3.250 2.657) 7.021 2.364 ( -2.073 -1.197 -0.071) 2.395 2.382 ( 6.052 3.494 -4.253) 8.181 3.821 ( -2.959 -1.708 1.015) 3.564 6.077 ( -1.883 -1.087 -0.014) 2.174 6.328 ( -0.391 -0.226 0.097) 0.462 6.393 ( -9.173 -5.296 3.555) 11.173 6.584 ( 12.237 7.065 -2.342) 14.322 7.281 ( 0.895 0.517 -0.263) 1.067 8.311 ( -0.322 -0.186 0.918) 0.991======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -2.158 -1.246 1.218) 2.774 1.904 ( -5.731 -3.309 4.056) 7.762 2.161 ( -4.418 -2.551 4.093) 6.541 2.276 ( -5.563 -3.212 -0.555) 6.447 2.532 ( 7.491 4.325 -6.667) 10.921 3.691 ( -8.882 -5.128 -0.009) 10.257 5.985 ( -6.129 -3.539 0.787) 7.121 6.233 ( -5.914 -3.415 4.549) 8.206 6.323 ( 0.033 0.019 -0.646) 0.647 6.860 ( 12.712 7.339 -3.605) 15.114 7.315 ( 2.015 1.164 0.876) 2.487 8.304 ( -0.397 -0.229 1.848) 1.904======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -4.580 -2.644 2.908) 6.035 1.734 ( -10.493 -6.058 7.653) 14.330 2.092 ( -3.299 -1.905 2.419) 4.513 2.120 ( -7.701 -4.446 -1.358) 8.996 2.671 ( 6.210 3.585 -4.559) 8.497 3.416 ( -15.261 -8.811 -2.105) 17.747 5.819 ( -8.469 -4.890 0.821) 9.814 6.157 ( -1.902 -1.098 4.258) 4.791 6.327 ( 0.566 0.327 -0.697) 0.955 7.109 ( 9.775 5.644 -7.674) 13.649 7.382 ( 3.947 2.279 4.029) 6.083 8.315 ( 0.972 0.561 3.095) 3.292======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( -8.464 -4.887 5.182) 11.063 1.485 ( -13.697 -7.908 9.681) 18.544 1.941 ( -7.246 -4.183 -2.444) 8.716 1.996 ( -6.021 -3.476 -0.552) 6.974 2.769 ( 0.379 0.219 2.410) 2.449 3.016 ( -16.446 -9.495 -7.029) 20.250 5.624 ( -8.730 -5.040 0.536) 10.095 6.170 ( 2.030 1.172 2.933) 3.755 6.346 ( 1.304 0.753 -0.505) 1.588 7.214 ( 1.943 1.122 -8.792) 9.074 7.544 ( 8.911 5.145 4.636) 11.286 8.367 ( 2.638 1.523 3.607) 4.722======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -13.006 -7.509 7.377) 16.732 1.175 ( -16.204 -9.356 10.571) 21.491 1.795 ( -12.068 -6.968 -4.469) 14.635 1.798 ( -4.679 -2.701 -3.025) 6.192 2.424 ( -23.004 -13.281 1.499) 26.605 2.945 ( 4.165 2.404 -3.120) 5.733 5.442 ( -7.356 -4.247 0.266) 8.498 6.253 ( 4.419 2.551 1.330) 5.273 6.382 ( 1.937 1.118 -0.335) 2.261 7.186 ( -1.948 -1.125 -6.483) 6.863 7.773 ( 10.063 5.810 2.765) 11.944 8.439 ( 2.623 1.514 2.795) 4.121======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( -15.793 -9.118 9.378) 20.507 0.824 ( -17.531 -10.122 11.276) 23.172 1.372 ( -24.644 -14.228 -6.317) 29.149 1.712 ( -2.383 -1.376 -2.771) 3.906 1.985 ( -14.824 -8.559 1.604) 17.193 3.028 ( 3.343 1.930 -0.966) 3.980 5.301 ( -5.069 -2.927 0.185) 5.856 6.360 ( 4.567 2.637 0.076) 5.274 6.427 ( 1.996 1.152 -0.260) 2.319 7.105 ( -3.372 -1.947 -8.473) 9.325 8.003 ( 9.610 5.548 3.244) 11.562 8.484 ( 0.582 0.336 1.519) 1.661======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( 0.000 22.198 5.822) 22.949 0.569 ( 0.000 17.064 15.573) 23.102 0.859 ( 0.000 23.848 25.656) 35.028 1.643 ( -0.000 0.483 -3.945) 3.974 1.744 ( -0.000 8.511 -1.719) 8.683 3.130 ( 0.000 -9.787 3.663) 10.450 5.222 ( 0.000 2.855 0.858) 2.981 6.414 ( -0.000 5.557 -12.724) 13.885 6.461 ( -0.000 -1.491 -0.561) 1.593 6.550 ( -0.000 30.771 -37.121) 48.217 8.309 ( 0.000 -12.425 6.946) 14.235 8.505 ( 0.000 -1.877 3.881) 4.311======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( -2.846 15.763 15.630) 22.380 0.792 ( 3.632 22.243 0.968) 22.558 1.389 ( 20.096 18.210 16.807) 31.905 1.676 ( 3.939 1.023 -3.813) 5.577 1.876 ( 4.644 13.643 -2.496) 14.627 3.033 ( -2.172 -4.614 -2.365) 5.621 5.281 ( 2.489 4.258 0.977) 5.028 6.373 ( -2.524 -4.072 -1.545) 5.034 6.437 ( -0.749 -1.595 -0.559) 1.849 6.826 ( 11.432 14.787 -25.399) 31.535 8.138 ( -7.321 -11.393 6.887) 15.194 8.481 ( -2.121 -0.517 -0.221) 2.194======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( 5.291 11.931 9.018) 15.864 1.070 ( 4.918 19.900 -2.670) 20.672 1.755 ( 6.515 2.576 -1.163) 7.102 1.808 ( 7.959 7.058 5.333) 11.900 2.225 ( 16.756 19.823 0.122) 25.956 2.968 ( -0.034 -2.453 -2.075) 3.213 5.393 ( 4.730 5.634 0.916) 7.413 6.264 ( -4.464 -4.399 -1.632) 6.477 6.405 ( -1.372 -0.653 -0.520) 1.606 7.052 ( 9.931 5.958 -12.491) 17.033 7.903 ( -10.071 -9.782 5.247) 14.988 8.417 ( -3.583 -1.814 -2.327) 4.642======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 8.095 8.303 3.353) 12.071 1.322 ( 5.113 16.480 -4.647) 17.869 1.889 ( 6.696 3.168 -1.471) 7.552 1.967 ( 3.865 5.608 1.022) 6.887 2.643 ( 10.297 10.278 -2.686) 14.794 3.029 ( 8.639 4.467 4.376) 10.665 5.551 ( 6.429 6.774 0.633) 9.361 6.145 ( -3.973 -3.235 -2.317) 5.624 6.380 ( -1.536 0.923 -0.462) 1.851 7.206 ( 6.912 1.608 -6.787) 9.819 7.641 ( -11.803 -8.739 4.107) 15.250 8.326 ( -3.326 -2.439 -2.900) 5.042======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 6.702 5.825 0.302) 8.885 1.540 ( 5.729 12.640 -5.239) 14.834 2.000 ( 4.134 0.884 -2.501) 4.912 2.103 ( 4.844 7.741 0.967) 9.183 2.746 ( 0.058 0.340 -0.544) 0.644 3.334 ( 13.570 9.246 4.203) 16.950 5.736 ( 6.937 7.225 0.165) 10.017 6.073 ( -0.863 -0.888 -2.812) 3.072 6.370 ( -1.460 2.511 -0.284) 2.918 7.264 ( 0.902 -2.440 -7.988) 8.401 7.372 ( -10.908 -6.310 6.329) 14.102 8.260 ( -0.700 -2.106 -1.975) 2.971======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 3.446 4.667 -0.785) 5.855 1.734 ( 6.469 8.502 -4.973) 11.784 2.056 ( 3.265 0.731 -2.327) 4.076 2.262 ( 4.199 7.355 0.987) 8.527 2.702 ( -4.474 -1.643 2.022) 5.177 3.617 ( 9.592 5.830 2.281) 11.455 5.914 ( 5.808 6.555 -0.408) 8.768 6.094 ( 3.786 1.786 -2.665) 4.962 6.375 ( -1.521 3.527 -0.031) 3.841 7.048 ( -12.566 -6.832 -1.467) 14.379 7.299 ( -0.562 -1.416 0.106) 1.527 8.250 ( 1.911 -1.791 -0.542) 2.675======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 0.876 3.834 -0.838) 4.021 1.879 ( 4.745 3.704 -3.884) 7.164 2.130 ( 4.915 2.176 -2.693) 6.012 2.376 ( 1.416 4.991 1.116) 5.307 2.587 ( -7.807 -0.918 2.451) 8.234 3.783 ( 4.972 2.018 1.665) 5.618 6.047 ( 3.276 4.948 -0.759) 5.983 6.211 ( 7.463 2.695 -1.721) 8.119 6.387 ( -1.344 4.479 -0.245) 4.683 6.774 ( -12.501 -4.978 0.866) 13.483 7.277 ( -0.468 -0.751 -0.874) 1.244 8.272 ( 2.511 -2.064 0.341) 3.268======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( -0.979 2.787 -0.389) 2.979 1.945 ( 2.054 0.088 -1.539) 2.568 2.232 ( 5.026 0.657 -3.942) 6.421 2.390 ( -2.921 -1.512 2.828) 4.338 2.479 ( -6.657 6.747 0.086) 9.478 3.836 ( 0.216 -1.062 1.600) 1.932 6.107 ( -0.723 2.667 -0.378) 2.788 6.308 ( 1.572 -2.057 0.456) 2.629 6.475 ( 6.099 6.919 -2.766) 9.629 6.552 ( -9.746 -0.010 3.224) 10.266 7.270 ( 0.440 -0.017 -0.788) 0.902 8.287 ( 1.766 -2.594 0.810) 3.241======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -2.540 1.221 0.424) 2.850 1.945 ( -1.191 -1.846 1.109) 2.462 2.214 ( -3.397 -3.950 2.188) 5.651 2.343 ( -3.123 -0.576 -0.668) 3.245 2.494 ( 0.098 8.860 -3.937) 9.696 3.774 ( -5.474 -3.599 1.117) 6.645 6.066 ( -5.373 -0.319 0.519) 5.408 6.260 ( -2.577 -4.988 1.727) 5.874 6.412 ( -6.331 3.604 1.708) 7.483 6.725 ( 10.969 8.594 -2.663) 14.187 7.288 ( 1.792 0.230 -0.116) 1.810 8.288 ( 1.192 -2.735 1.436) 3.311======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( -4.186 -1.385 1.822) 4.771 1.863 ( -6.664 -2.802 4.177) 8.349 2.134 ( -3.093 -2.431 2.961) 4.924 2.231 ( -8.324 -1.183 -0.800) 8.445 2.602 ( 4.662 6.027 -5.394) 9.335 3.579 ( -12.449 -5.932 -0.186) 13.791 5.932 ( -8.758 -2.470 0.813) 9.136 6.177 ( -2.066 -3.699 3.123) 5.263 6.378 ( -3.604 4.542 0.324) 5.807 6.981 ( 10.538 7.501 -5.509) 14.059 7.336 ( 3.602 0.002 1.861) 4.054 8.293 ( 1.827 -1.973 2.358) 3.576======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -6.747 -5.613 4.142) 9.705 1.702 ( -11.476 -1.203 6.188) 13.094 2.048 ( -7.531 -2.296 -3.006) 8.427 2.062 ( -7.018 -2.042 2.308) 7.665 2.727 ( 5.533 4.060 -2.684) 7.369 3.236 ( -19.632 -7.893 -2.115) 21.265 5.744 ( -10.000 -3.286 0.679) 10.548 6.151 ( 1.009 -1.297 2.604) 3.079 6.371 ( -1.945 3.617 -0.115) 4.109 7.157 ( 4.831 4.337 -8.896) 11.013 7.442 ( 8.065 1.074 4.608) 9.351 8.331 ( 3.306 -0.642 2.847) 4.410======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( -10.639 -10.004 6.712) 16.072 1.488 ( -16.012 0.643 6.365) 17.243 1.874 ( -7.954 -1.395 -3.855) 8.948 1.917 ( -9.040 -3.261 -0.050) 9.610 2.740 ( -23.114 -5.866 3.561) 24.111 2.875 ( 3.273 0.416 -6.355) 7.161 5.549 ( -9.331 -2.873 0.485) 9.775 6.197 ( 4.057 0.305 1.232) 4.251 6.382 ( -0.188 2.384 -0.228) 2.402 7.188 ( -0.663 1.282 -7.557) 7.694 7.640 ( 11.166 2.295 3.488) 11.921 8.400 ( 3.933 0.056 2.125) 4.471======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( -13.791 -11.132 8.507) 19.659 1.199 ( -20.040 -0.883 3.602) 20.380 1.656 ( -17.611 -2.699 -0.235) 17.818 1.761 ( -5.265 0.363 -2.252) 5.738 2.247 ( -24.135 -5.276 0.348) 24.708 2.970 ( 4.850 1.385 -1.701) 5.323 5.385 ( -7.406 -1.603 0.409) 7.589 6.288 ( 5.581 0.623 -0.015) 5.615 6.408 ( 1.253 1.135 -0.262) 1.711 7.138 ( -3.747 0.827 -7.880) 8.765 7.864 ( 11.702 1.561 3.273) 12.251 8.461 ( 2.716 -0.360 0.650) 2.816======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 0.000 20.505 5.045) 21.117 0.976 ( 0.000 16.077 12.648) 20.456 1.440 ( 0.000 21.740 14.811) 26.306 1.638 ( -0.000 2.078 -6.005) 6.354 1.987 ( 0.000 17.955 -1.292) 18.001 2.989 ( -0.000 -5.674 -3.992) 6.937 5.312 ( 0.000 5.845 0.984) 5.927 6.350 ( -0.000 -4.266 -1.180) 4.426 6.419 ( -0.000 -2.359 -0.699) 2.460 6.814 ( -0.000 14.405 -21.157) 25.595 8.093 ( 0.000 -13.049 5.668) 14.227 8.496 ( -0.000 -1.003 -0.403) 1.081======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -5.131 14.898 13.522) 20.764 1.213 ( 1.783 20.108 -0.435) 20.191 1.680 ( 4.383 3.829 -3.785) 6.942 1.762 ( 8.625 10.984 7.211) 15.717 2.241 ( 6.960 23.608 -0.645) 24.621 2.924 ( 0.280 -4.391 -3.693) 5.744 5.399 ( 2.374 7.236 1.077) 7.691 6.278 ( -2.862 -4.550 -0.999) 5.468 6.400 ( 0.481 -1.658 -0.654) 1.846 6.936 ( 6.340 7.658 -13.905) 17.093 7.939 ( -4.960 -12.095 4.742) 13.906 8.453 ( -3.001 -1.754 -1.576) 3.817======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.194 ( -1.056 12.384 9.735) 15.788 1.423 ( 1.900 17.541 -3.479) 17.983 1.805 ( 6.363 4.348 -2.954) 8.254 1.965 ( 4.510 6.936 2.448) 8.628 2.598 ( 8.279 15.570 -3.725) 18.023 2.946 ( 6.428 2.902 2.704) 7.553 5.537 ( 4.440 8.458 1.179) 9.625 6.173 ( -3.922 -3.608 -1.582) 5.559 6.399 ( 0.285 0.408 -0.873) 1.005 7.072 ( 7.513 1.836 -8.614) 11.577 7.730 ( -8.023 -10.394 4.165) 13.775 8.360 ( -4.463 -2.479 -2.436) 5.656======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 2.067 9.637 5.657) 11.364 1.598 ( 1.985 14.056 -4.382) 14.856 1.929 ( 4.709 2.091 -2.649) 5.794 2.112 ( 4.342 8.592 1.086) 9.687 2.732 ( 2.132 1.621 -2.833) 3.899 3.225 ( 12.353 11.685 4.135) 17.500 5.713 ( 5.578 9.129 1.094) 10.754 6.084 ( -2.587 -1.486 -2.053) 3.621 6.413 ( -0.159 2.801 -1.264) 3.077 7.162 ( 5.375 -2.105 -6.692) 8.838 7.499 ( -9.740 -8.041 4.427) 13.383 8.259 ( -3.154 -2.843 -2.301) 4.830======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( 2.395 7.783 2.843) 8.625 1.742 ( 2.417 10.319 -3.677) 11.218 1.996 ( 3.513 0.337 -2.700) 4.444 2.279 ( 4.056 8.937 1.540) 9.934 2.746 ( -0.897 0.499 0.046) 1.027 3.521 ( 9.773 7.618 1.990) 12.550 5.896 ( 5.157 8.530 0.744) 9.996 6.061 ( 1.014 1.248 -1.937) 2.518 6.437 ( -0.843 4.378 -1.598) 4.736 7.136 ( -4.158 -5.082 -5.512) 8.573 7.314 ( -4.553 -3.603 4.049) 7.078 8.199 ( 0.265 -3.197 -1.251) 3.443======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 0.570 6.661 0.972) 6.756 1.853 ( 2.311 5.341 -2.555) 6.356 2.061 ( 4.520 1.272 -2.245) 5.204 2.406 ( 1.656 4.875 2.092) 5.557 2.717 ( -4.867 4.166 0.285) 6.413 3.709 ( 6.427 2.403 1.229) 6.971 6.044 ( 3.601 6.302 0.235) 7.262 6.133 ( 4.735 3.423 -1.151) 5.955 6.456 ( -1.449 4.475 -1.916) 5.079 6.939 ( -10.992 -2.977 -0.365) 11.394 7.272 ( -0.225 -1.262 -0.019) 1.282 8.193 ( 2.927 -3.891 -0.195) 4.873======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( -1.572 5.602 0.231) 5.823 1.909 ( 1.722 1.028 -1.648) 2.596 2.151 ( 4.666 1.066 -2.587) 5.441 2.426 ( -1.840 -1.191 2.647) 3.437 2.686 ( -7.134 10.686 -0.590) 12.862 3.799 ( 3.257 -1.402 1.419) 3.820 6.141 ( 1.032 4.560 0.298) 4.685 6.242 ( 4.551 0.820 -0.181) 4.628 6.475 ( 0.454 3.860 -2.666) 4.713 6.749 ( -10.743 2.900 2.204) 11.344 7.262 ( 0.055 -0.175 -0.953) 0.970 8.208 ( 3.482 -4.591 0.432) 5.779======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -3.527 3.882 0.318) 5.254 1.929 ( 0.971 -0.899 -0.449) 1.397 2.193 ( 1.370 -2.584 -1.912) 3.495 2.377 ( -2.321 -0.663 1.486) 2.834 2.670 ( -7.660 11.802 -1.257) 14.126 3.800 ( -0.923 -3.414 1.486) 3.836 6.151 ( -3.494 1.357 0.735) 3.820 6.259 ( -1.326 -2.893 0.715) 3.262 6.525 ( 0.032 2.161 -1.335) 2.541 6.703 ( -0.853 10.813 0.919) 10.886 7.264 ( 0.751 -0.240 -0.851) 1.160 8.219 ( 2.994 -4.721 0.906) 5.663======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( -5.328 1.009 1.047) 5.523 1.916 ( -1.562 -1.500 1.017) 2.392 2.154 ( -1.468 -3.039 0.607) 3.429 2.332 ( -4.001 -0.206 -0.190) 4.011 2.658 ( -4.650 9.099 -2.570) 10.537 3.701 ( -7.134 -4.216 0.863) 8.332 6.061 ( -7.624 -0.739 0.984) 7.723 6.185 ( -2.712 -3.498 1.367) 4.632 6.508 ( -4.776 4.870 0.461) 6.837 6.883 ( 8.200 9.137 -2.898) 12.615 7.281 ( 2.289 -1.265 0.306) 2.633 8.228 ( 2.989 -3.853 1.390) 5.070======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( -7.305 -2.399 2.441) 8.067 1.849 ( -5.623 -0.675 2.135) 6.053 2.095 ( -3.001 -2.172 -0.598) 3.752 2.218 ( -9.132 -0.179 0.878) 9.176 2.693 ( 1.534 5.155 -2.770) 6.050 3.474 ( -15.042 -4.311 0.015) 15.647 5.896 ( -10.375 -1.611 0.758) 10.527 6.133 ( -0.430 -2.142 1.325) 2.555 6.471 ( -4.806 4.075 0.159) 6.303 7.090 ( 7.113 7.187 -6.414) 11.975 7.329 ( 5.585 -2.308 3.319) 6.895 8.260 ( 3.941 -2.277 1.470) 4.783======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( -10.241 -4.510 3.806) 11.820 1.719 ( -10.149 -0.515 1.507) 10.274 1.989 ( -6.968 -0.956 -4.476) 8.337 2.055 ( -9.608 -0.465 3.378) 10.195 2.784 ( 5.054 2.358 -2.119) 5.966 3.116 ( -22.696 -2.911 0.504) 22.887 5.701 ( -10.799 -1.360 0.610) 10.902 6.138 ( 2.483 -0.867 0.284) 2.645 6.432 ( -3.088 1.913 -0.178) 3.637 7.191 ( 0.981 3.948 -6.286) 7.488 7.467 ( 11.054 -1.089 3.719) 11.714 8.322 ( 4.797 -1.154 0.578) 4.968======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( -13.498 -3.259 4.174) 14.500 1.481 ( -16.066 -3.395 -2.514) 16.613 1.851 ( -7.762 1.888 -2.623) 8.408 1.905 ( -9.575 0.407 3.806) 10.311 2.659 ( -25.248 -1.247 -2.591) 25.411 2.902 ( 3.339 2.428 1.945) 4.564 5.522 ( -9.498 -0.164 0.525) 9.514 6.195 ( 4.902 -0.619 -0.786) 5.003 6.408 ( -0.674 0.016 -0.277) 0.729 7.194 ( -2.466 2.999 -4.599) 6.019 7.667 ( 12.446 -1.362 2.551) 12.777 8.391 ( 4.413 -1.164 -1.009) 4.674======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 0.000 10.471 8.516) 13.497 1.375 ( 0.000 17.916 3.032) 18.171 1.680 ( -0.000 6.833 -5.837) 8.986 1.818 ( 0.000 11.332 6.772) 13.202 2.421 ( 0.000 24.586 -1.975) 24.666 2.866 ( -0.000 -3.782 -2.367) 4.461 5.458 ( 0.000 8.523 0.883) 8.568 6.263 ( -0.000 -3.754 -0.473) 3.783 6.368 ( -0.000 -2.285 -0.660) 2.378 6.916 ( -0.000 5.761 -11.452) 12.819 7.869 ( 0.000 -12.563 3.620) 13.074 8.459 ( -0.000 -2.028 -1.549) 2.552======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( -2.955 8.013 6.442) 10.697 1.559 ( 0.911 15.615 -0.439) 15.648 1.774 ( 2.787 8.787 -2.682) 9.601 1.966 ( 4.060 7.219 2.121) 8.550 2.632 ( 2.544 10.261 -6.979) 12.667 2.911 ( 4.696 9.910 5.085) 12.088 5.570 ( 2.458 9.498 0.920) 9.854 6.199 ( -3.137 -2.713 -0.976) 4.261 6.370 ( 2.196 -0.957 -0.736) 2.506 6.964 ( 4.125 1.544 -8.015) 9.145 7.728 ( -3.462 -11.545 2.908) 12.399 8.403 ( -3.451 -2.170 -1.917) 4.505======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( -0.326 7.388 5.074) 8.968 1.704 ( 0.351 13.090 -2.767) 13.384 1.887 ( 2.521 4.663 -1.932) 5.642 2.117 ( 5.279 8.302 0.375) 9.845 2.687 ( 2.866 -0.529 -3.512) 4.564 3.194 ( 8.237 16.459 4.132) 18.863 5.727 ( 4.331 10.066 1.150) 11.019 6.118 ( -3.395 -0.908 -1.545) 3.839 6.410 ( 2.478 1.379 -1.525) 3.219 7.025 ( 5.572 -2.325 -5.393) 8.096 7.554 ( -5.689 -9.494 2.711) 11.395 8.300 ( -5.067 -2.195 -2.122) 5.916======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( 1.577 7.461 4.319) 8.764 1.814 ( 0.252 10.037 -2.592) 10.369 1.940 ( 2.278 0.827 -3.011) 3.865 2.297 ( 4.755 8.697 1.664) 10.051 2.731 ( 3.357 0.406 -0.698) 3.453 3.469 ( 6.901 10.830 1.676) 12.950 5.906 ( 4.620 9.534 1.218) 10.664 6.073 ( -1.367 1.528 -1.524) 2.555 6.463 ( 1.575 2.967 -2.615) 4.257 7.067 ( 4.131 -3.772 -3.895) 6.816 7.379 ( -6.221 -6.418 2.926) 9.405 8.193 ( -3.749 -2.556 -1.813) 4.886======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 0.983 7.486 2.958) 8.109 1.884 ( -0.263 4.865 -0.824) 4.941 1.993 ( 4.051 1.639 -2.960) 5.278 2.422 ( 1.845 3.465 2.401) 4.601 2.807 ( 1.556 6.801 -0.387) 6.987 3.639 ( 4.733 3.635 0.427) 5.983 6.052 ( 2.689 6.251 0.645) 6.836 6.110 ( 2.652 4.801 -0.536) 5.511 6.495 ( 0.032 2.161 -3.366) 4.000 7.050 ( -3.137 -0.893 -1.494) 3.587 7.266 ( -1.748 -2.938 1.787) 3.858 8.123 ( -0.329 -3.795 -1.088) 3.962======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( -1.147 7.162 1.473) 7.402 1.904 ( -0.125 1.073 -0.536) 1.206 2.078 ( 4.353 1.116 -1.718) 4.811 2.443 ( -0.830 -1.170 2.078) 2.526 2.896 ( -3.108 13.150 -0.699) 13.530 3.716 ( 3.955 -2.397 0.537) 4.656 6.154 ( 3.208 5.010 0.800) 6.003 6.200 ( 2.153 3.127 -0.109) 3.798 6.488 ( -0.479 -0.151 -3.300) 3.339 6.963 ( -8.249 5.300 1.429) 9.909 7.254 ( 0.714 -0.441 -0.446) 0.950 8.099 ( 2.826 -5.356 -0.320) 6.065======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -3.813 5.944 0.853) 7.113 1.908 ( 0.457 -0.343 -0.407) 0.701 2.130 ( 2.622 -2.055 -1.533) 3.667 2.410 ( -1.786 -0.982 1.438) 2.495 2.933 ( -8.189 13.784 -0.918) 16.059 3.742 ( 3.284 -5.000 1.049) 6.074 6.210 ( -1.859 1.161 0.505) 2.249 6.251 ( 1.257 1.098 0.974) 1.932 6.488 ( 2.796 0.023 -2.799) 3.956 6.909 ( -7.586 10.490 2.066) 13.110 7.254 ( -0.136 -0.350 -1.235) 1.291 8.106 ( 4.197 -5.742 0.252) 7.117======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -6.388 2.870 0.905) 7.062 1.911 ( 0.470 -0.613 -0.072) 0.776 2.127 ( 0.873 -2.852 -1.016) 3.152 2.379 ( -1.965 0.019 0.787) 2.117 2.884 ( -10.467 9.694 -0.994) 14.301 3.728 ( -0.397 -4.170 0.875) 4.279 6.157 ( -4.086 -1.076 0.884) 4.317 6.223 ( -4.192 -1.030 0.594) 4.358 6.560 ( 3.352 1.968 -1.675) 4.233 6.928 ( -2.743 10.979 0.737) 11.340 7.239 ( 0.533 -2.170 -0.765) 2.362 8.128 ( 4.263 -4.411 0.502) 6.155======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.597 ( -7.941 -0.264 1.361) 8.061 1.902 ( -1.395 -0.370 0.384) 1.494 2.105 ( -0.771 -1.517 -1.599) 2.336 2.334 ( -4.224 0.092 1.350) 4.435 2.789 ( -7.561 4.564 -0.931) 8.880 3.636 ( -7.414 -2.254 0.344) 7.756 6.050 ( -8.254 -0.762 0.687) 8.317 6.141 ( -2.860 -1.489 0.266) 3.236 6.579 ( -3.131 2.049 -0.923) 3.854 7.039 ( 4.937 7.514 -2.158) 9.246 7.237 ( 2.563 -3.422 1.296) 4.467 8.169 ( 4.325 -2.292 0.238) 4.901======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( -9.248 -1.238 1.629) 9.472 1.843 ( -5.566 -1.024 -0.247) 5.665 2.055 ( -3.195 -0.178 -3.864) 5.017 2.229 ( -9.047 0.060 2.706) 9.443 2.749 ( 0.059 1.093 -0.410) 1.169 3.433 ( -15.436 0.203 0.772) 15.457 5.880 ( -10.808 -0.320 0.513) 10.825 6.107 ( -0.003 -0.687 -0.718) 0.994 6.511 ( -4.921 -0.186 -0.843) 4.996 7.190 ( 4.039 6.390 -5.289) 9.226 7.280 ( 7.846 -5.014 4.734) 10.446 8.230 ( 4.639 -0.795 -0.712) 4.760======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( -10.990 0.688 1.001) 11.057 1.672 ( -11.780 -3.225 -3.945) 12.835 1.981 ( -5.397 2.292 -3.455) 6.806 2.072 ( -9.489 0.020 3.453) 10.098 2.779 ( 1.841 -0.989 -2.230) 3.057 3.151 ( -19.758 4.505 4.032) 20.663 5.699 ( -10.721 0.858 0.408) 10.763 6.119 ( 2.524 -0.581 -1.851) 3.183 6.429 ( -2.876 -1.923 -0.579) 3.508 7.245 ( -0.587 3.530 -1.499) 3.880 7.437 ( 12.588 -3.596 1.514) 13.178 8.298 ( 4.515 -0.662 -2.114) 5.029======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 0.000 2.752 0.486) 2.794 1.695 ( 0.000 13.618 1.032) 13.657 1.864 ( 0.000 12.513 -0.526) 12.525 1.988 ( -0.000 4.579 -1.395) 4.787 2.631 ( -0.000 -1.015 -5.321) 5.417 3.045 ( 0.000 20.691 5.870) 21.508 5.645 ( 0.000 9.862 0.377) 9.869 6.210 ( -0.000 -1.037 -1.329) 1.686 6.329 ( -0.000 -1.283 -0.273) 1.312 6.917 ( -0.000 -0.308 -5.915) 5.923 7.649 ( -0.000 -11.369 1.741) 11.501 8.409 ( -0.000 -1.853 -1.687) 2.506======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 1.235 2.645 -0.119) 2.921 1.817 ( -0.166 11.055 -0.471) 11.066 1.934 ( -2.247 5.536 -2.546) 6.495 2.094 ( 6.437 7.741 -1.801) 10.228 2.617 ( 2.000 -2.957 -0.446) 3.598 3.292 ( 2.979 19.681 3.968) 20.297 5.766 ( 2.838 9.837 0.280) 10.242 6.168 ( -3.183 0.483 -1.879) 3.727 6.358 ( 3.598 0.189 -0.804) 3.691 6.915 ( 2.862 -2.843 -3.423) 5.291 7.528 ( -2.209 -10.019 1.052) 10.313 8.356 ( -3.694 -1.408 -1.647) 4.282======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 3.599 3.833 1.312) 5.419 1.903 ( -0.566 7.960 -0.333) 7.987 1.927 ( -0.362 1.520 -5.125) 5.358 2.293 ( 6.312 8.705 0.713) 10.776 2.647 ( 4.772 -2.102 1.178) 5.346 3.518 ( 2.602 14.090 1.871) 14.450 5.925 ( 4.440 9.322 0.536) 10.339 6.124 ( -2.727 2.381 -1.793) 4.040 6.428 ( 3.810 1.308 -2.299) 4.638 6.938 ( 4.884 -4.177 -1.294) 6.555 7.395 ( -3.314 -7.668 0.827) 8.394 8.257 ( -5.752 -1.079 -1.587) 6.064======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 4.150 5.051 2.243) 6.911 1.916 ( 0.191 -0.518 -0.177) 0.579 1.974 ( 0.651 6.371 -3.551) 7.323 2.429 ( 1.792 3.160 2.306) 4.302 2.771 ( 8.827 4.012 0.154) 9.698 3.649 ( 0.228 6.970 0.242) 6.978 6.076 ( 2.655 6.820 0.394) 7.329 6.129 ( 0.467 4.933 -0.775) 5.015 6.479 ( 1.826 0.109 -3.445) 3.900 6.999 ( 6.095 -1.790 0.025) 6.353 7.281 ( -3.084 -4.574 0.955) 5.599 8.143 ( -5.395 -1.581 -1.394) 5.792======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 2.073 5.998 1.618) 6.550 1.914 ( 0.052 -0.473 0.231) 0.529 2.033 ( 1.738 2.522 -1.495) 3.409 2.448 ( -0.560 -0.894 1.676) 1.981 2.988 ( 7.233 10.454 -0.100) 12.712 3.667 ( -1.335 -0.646 -0.343) 1.522 6.158 ( 1.950 5.085 0.472) 5.467 6.211 ( 1.604 4.475 0.011) 4.754 6.469 ( -0.128 -2.464 -3.176) 4.021 7.087 ( 1.471 3.998 0.535) 4.294 7.225 ( 0.485 -1.877 0.736) 2.073 8.045 ( -2.683 -3.362 -0.997) 4.415======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( -1.239 6.176 0.910) 6.364 1.908 ( -0.667 0.056 0.182) 0.694 2.062 ( 2.011 -2.405 -0.665) 3.205 2.426 ( -0.985 -0.905 0.792) 1.554 3.171 ( -1.679 14.422 -0.370) 14.524 3.621 ( 2.140 -7.520 0.152) 7.820 6.234 ( 0.330 1.113 0.371) 1.219 6.262 ( 1.075 4.715 1.021) 4.942 6.432 ( 1.016 -3.164 -2.667) 4.261 7.113 ( -4.177 7.365 1.654) 8.627 7.246 ( 1.022 -0.077 -0.857) 1.336 7.993 ( 1.746 -4.771 -0.395) 5.096======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( -6.453 3.232 0.847) 7.266 1.900 ( 0.334 -0.127 -0.067) 0.364 2.070 ( 2.535 -2.479 -0.620) 3.599 2.406 ( -1.127 -0.175 0.533) 1.259 3.164 ( -11.810 8.515 -0.438) 14.566 3.635 ( 6.199 -5.102 0.359) 8.037 6.205 ( -2.918 -0.651 0.450) 3.024 6.286 ( -2.782 0.703 0.543) 2.920 6.474 ( 6.152 0.373 -1.678) 6.388 7.118 ( -5.439 8.584 1.800) 10.321 7.217 ( -1.501 -3.218 -1.364) 3.804 8.011 ( 4.762 -3.134 -0.105) 5.702======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( -8.015 -0.517 0.738) 8.066 1.907 ( 0.315 0.053 0.075) 0.328 2.091 ( 0.999 0.189 -1.018) 1.439 2.384 ( -1.632 -0.056 1.102) 1.970 2.991 ( -12.295 0.471 -0.013) 12.304 3.678 ( 0.755 -0.385 -0.154) 0.861 6.142 ( -4.028 -0.381 0.237) 4.053 6.213 ( -5.411 -0.331 -0.065) 5.421 6.576 ( 4.150 0.535 -1.585) 4.474 7.073 ( -3.719 -0.548 0.150) 3.762 7.193 ( 0.654 0.735 0.587) 1.146 8.077 ( 4.776 -0.285 -0.451) 4.806======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( -8.213 -0.931 0.625) 8.289 1.897 ( -2.017 -0.350 -0.301) 2.069 2.087 ( -1.664 1.193 -3.283) 3.869 2.349 ( -3.923 0.138 2.627) 4.723 2.803 ( -7.038 -3.068 0.663) 7.706 3.633 ( -6.974 1.888 0.005) 7.225 6.043 ( -7.971 -0.046 -0.087) 7.972 6.131 ( -3.429 0.665 -0.841) 3.593 6.570 ( -3.323 -2.115 -1.887) 4.368 7.067 ( 7.076 -5.256 0.779) 8.849 7.227 ( 0.823 2.786 0.419) 2.935 8.156 ( 3.999 1.431 -1.171) 4.406======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -8.355 0.940 -0.224) 8.411 1.804 ( -7.904 -1.411 -3.275) 8.672 2.053 ( -2.520 2.023 -3.879) 5.049 2.243 ( -9.119 -0.195 2.520) 9.463 2.732 ( 1.140 -2.743 1.667) 3.406 3.488 ( -13.470 4.364 1.598) 14.250 5.889 ( -10.177 1.036 -0.000) 10.230 6.100 ( -0.965 0.948 -2.391) 2.747 6.460 ( -4.310 -3.905 -1.085) 5.916 7.183 ( 11.731 -6.797 2.787) 13.841 7.272 ( 1.128 3.426 -1.806) 4.034 8.229 ( 3.269 1.495 -2.050) 4.138======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -0.000 1.228 -2.132) 2.461 1.915 ( 0.000 8.201 0.972) 8.258 1.982 ( -0.000 -0.989 -10.358) 10.405 2.101 ( 0.000 10.886 0.914) 10.925 2.576 ( 0.000 -2.939 3.761) 4.773 3.470 ( 0.000 18.474 3.249) 18.758 5.830 ( 0.000 8.711 -0.537) 8.728 6.208 ( -0.000 2.100 -3.561) 4.135 6.320 ( 0.000 0.394 0.509) 0.643 6.854 ( -0.000 -3.743 -1.037) 3.884 7.451 ( -0.000 -9.310 -0.021) 9.310 8.374 ( -0.000 -0.822 -1.305) 1.543======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 3.515 1.593 -1.245) 4.055 1.917 ( -0.618 -2.390 -6.512) 6.965 1.987 ( -0.600 7.051 -1.827) 7.309 2.263 ( 6.397 8.557 0.086) 10.685 2.573 ( 1.559 -2.937 4.665) 5.729 3.644 ( 0.201 14.248 1.919) 14.378 5.938 ( 3.608 7.570 -0.616) 8.409 6.193 ( -2.707 3.278 -3.189) 5.314 6.367 ( 3.579 1.113 -0.715) 3.816 6.833 ( 2.344 -4.448 0.916) 5.111 7.357 ( -1.130 -7.513 -0.467) 7.612 8.332 ( -3.804 -0.288 -1.123) 3.977======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 6.310 2.385 0.415) 6.758 1.888 ( 1.118 -1.634 -3.504) 4.025 2.031 ( -0.708 5.142 -1.418) 5.381 2.434 ( 3.279 4.614 1.280) 5.804 2.629 ( 8.418 -0.607 2.086) 8.694 3.748 ( -1.889 8.713 0.520) 8.930 6.081 ( 4.603 6.352 -0.365) 7.853 6.184 ( -1.628 4.461 -1.892) 5.112 6.428 ( 2.806 -0.037 -1.995) 3.443 6.862 ( 5.971 -3.634 1.639) 7.179 7.273 ( -1.330 -4.785 -0.303) 4.976 8.240 ( -6.401 -0.037 -1.005) 6.480======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 6.532 2.711 0.675) 7.104 1.893 ( 1.266 -0.875 -0.599) 1.651 2.056 ( -0.739 3.035 -0.822) 3.230 2.460 ( -1.066 -0.345 1.443) 1.827 2.861 ( 14.508 4.050 0.295) 15.066 3.746 ( -5.308 3.181 -0.340) 6.198 6.186 ( 1.328 5.098 -0.101) 5.269 6.223 ( 1.537 3.856 -0.691) 4.208 6.436 ( 0.172 -2.293 -1.712) 2.867 6.983 ( 10.110 -0.774 0.788) 10.171 7.222 ( -0.888 -1.711 0.315) 1.953 8.117 ( -7.292 -0.502 -0.822) 7.356======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 4.090 2.656 -0.144) 4.879 1.904 ( 1.529 -0.331 0.422) 1.620 2.048 ( -2.191 -0.204 -0.016) 2.200 2.436 ( -1.027 -0.710 0.342) 1.294 3.157 ( 14.360 5.382 0.229) 15.337 3.633 ( -8.684 -1.580 -0.402) 8.836 6.243 ( 0.472 1.983 0.334) 2.066 6.284 ( 2.234 4.050 -0.140) 4.627 6.391 ( -1.346 -3.424 -0.982) 3.808 7.154 ( 7.690 1.719 -0.353) 7.888 7.209 ( 0.259 -0.209 0.865) 0.926 7.993 ( -5.459 -1.215 -0.406) 5.607======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -0.020 0.001 0.002) 0.020 1.971 ( -5.096 -2.484 -0.012) 5.669 1.992 ( 4.331 2.125 0.011) 4.824 2.418 ( -0.636 -0.281 -0.000) 0.695 3.430 ( -12.543 0.282 0.025) 12.547 3.431 ( 12.805 -0.160 -0.025) 12.806 6.242 ( -1.254 -0.118 0.186) 1.273 6.329 ( -2.106 -2.285 -0.578) 3.161 6.382 ( 4.548 2.987 0.401) 5.456 7.196 ( -0.805 -1.278 -0.066) 1.512 7.244 ( -0.121 0.821 0.057) 0.832 7.941 ( 0.663 0.283 -0.000) 0.721======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -6.215 -3.927 -0.090) 7.353 1.901 ( 0.436 0.142 0.124) 0.475 2.076 ( 2.356 3.166 0.080) 3.948 2.403 ( -0.859 -0.417 0.206) 0.977 3.171 ( -11.736 -7.980 0.359) 14.197 3.628 ( 6.025 4.596 -0.464) 7.592 6.207 ( -3.202 0.507 0.613) 3.300 6.271 ( -2.164 -1.762 -1.080) 2.992 6.490 ( 5.187 1.500 0.047) 5.400 7.093 ( -4.881 -8.731 -0.936) 10.047 7.240 ( -1.645 2.904 1.188) 3.543 8.009 ( 4.385 3.098 -0.331) 5.379======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( -6.380 -3.209 0.066) 7.142 1.911 ( 0.049 0.487 -0.085) 0.497 2.124 ( -0.684 3.439 -1.294) 3.737 2.387 ( -0.634 -0.475 1.670) 1.848 2.898 ( -10.079 -9.171 0.570) 13.639 3.716 ( -0.229 3.742 -0.526) 3.785 6.147 ( -4.779 0.561 -0.275) 4.819 6.212 ( -3.899 0.725 -0.665) 4.022 6.561 ( 1.659 -1.207 -1.557) 2.575 6.929 ( -0.440 -10.855 0.823) 10.895 7.251 ( -0.274 2.073 0.556) 2.164 8.116 ( 3.764 4.232 -0.843) 5.726======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( -6.020 -1.259 -0.382) 6.162 1.892 ( -3.558 0.741 -1.896) 4.100 2.111 ( -3.215 2.981 -3.408) 5.553 2.364 ( -3.947 -0.273 2.664) 4.770 2.698 ( -2.610 -7.618 1.939) 8.283 3.696 ( -6.203 3.924 0.296) 7.346 6.047 ( -7.395 0.526 -0.595) 7.438 6.158 ( -4.036 2.915 -1.690) 5.258 6.488 ( -4.480 -4.763 -1.739) 6.765 6.927 ( 9.852 -8.812 1.841) 13.345 7.274 ( 0.946 1.422 -0.343) 1.742 8.205 ( 2.297 3.825 -1.209) 4.623======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( -0.000 0.962 -1.669) 1.926 1.866 ( -0.000 -3.650 -7.688) 8.510 2.048 ( -0.000 4.979 -0.963) 5.071 2.282 ( 0.000 6.991 0.620) 7.018 2.551 ( 0.000 -2.590 5.036) 5.663 3.777 ( 0.000 11.429 1.278) 11.501 5.963 ( -0.000 5.308 -1.033) 5.408 6.244 ( -0.000 3.895 -4.866) 6.233 6.347 ( 0.000 1.710 0.939) 1.951 6.776 ( 0.000 -4.417 2.251) 4.957 7.295 ( -0.000 -6.146 -0.846) 6.204 8.362 ( -0.000 0.053 -0.821) 0.822======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 4.808 1.113 -0.568) 4.968 1.831 ( 1.590 -2.039 -4.219) 4.948 2.081 ( -0.532 3.316 -0.526) 3.400 2.397 ( 6.077 4.982 -0.006) 7.858 2.542 ( 0.858 -2.859 3.494) 4.595 3.860 ( -1.466 7.146 0.295) 7.301 6.046 ( 4.601 3.918 -0.720) 6.086 6.250 ( -1.881 4.073 -2.893) 5.338 6.388 ( 2.025 1.076 -0.283) 2.310 6.759 ( 2.432 -3.976 1.911) 5.037 7.241 ( -0.269 -3.816 -0.451) 3.852 8.328 ( -3.797 0.269 -0.667) 3.865======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 7.375 0.845 -0.095) 7.423 1.852 ( 2.462 -0.222 -0.666) 2.561 2.094 ( -0.803 1.837 -0.047) 2.006 2.481 ( -0.984 0.074 0.487) 1.100 2.640 ( 13.081 0.415 0.736) 13.109 3.861 ( -4.163 2.875 -0.424) 5.078 6.168 ( 5.314 2.744 -0.488) 6.000 6.253 ( -1.251 2.880 -0.828) 3.247 6.415 ( 0.611 -0.254 -0.228) 0.700 6.810 ( 7.523 -2.329 0.279) 7.881 7.214 ( -0.008 -1.284 0.296) 1.318 8.239 ( -6.723 0.283 -0.498) 6.747======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 7.412 -0.339 -0.659) 7.449 1.887 ( 1.194 0.317 0.472) 1.322 2.087 ( -1.535 0.331 0.536) 1.659 2.450 ( -1.444 -0.763 -0.496) 1.707 2.905 ( 16.617 -0.065 0.379) 16.622 3.775 ( -7.358 0.149 -0.460) 7.374 6.246 ( 0.958 -1.159 -1.231) 1.944 6.263 ( 1.924 1.502 0.569) 2.506 6.408 ( -1.308 0.896 1.009) 1.879 6.969 ( 12.127 -0.484 -0.807) 12.163 7.211 ( -0.031 -0.077 0.670) 0.675 8.113 ( -8.021 0.352 -0.098) 8.030======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 5.095 -3.778 -0.881) 6.404 1.899 ( 0.311 0.490 -0.086) 0.587 2.053 ( -2.365 0.712 0.518) 2.524 2.425 ( -0.661 -0.250 -0.793) 1.062 3.156 ( 14.197 -5.511 0.091) 15.229 3.638 ( -8.509 2.049 0.153) 8.754 6.230 ( 0.732 -2.764 -1.141) 3.079 6.287 ( 1.118 -3.219 0.210) 3.414 6.421 ( -0.875 5.116 2.215) 5.643 7.152 ( 8.780 -1.914 -0.601) 9.006 7.200 ( -0.836 -0.607 -0.171) 1.047 8.002 ( -5.437 1.963 0.544) 5.807======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( -1.051 -7.013 -0.626) 7.119 1.904 ( -0.302 0.387 -0.212) 0.535 2.072 ( 2.073 3.105 0.483) 3.765 2.412 ( -0.683 -0.127 -0.789) 1.051 3.174 ( -1.136 -14.119 0.004) 14.164 3.621 ( 1.313 7.345 0.235) 7.465 6.222 ( 1.932 -2.465 -1.061) 3.307 6.256 ( -0.831 -3.053 0.492) 3.203 6.474 ( 0.503 4.199 1.965) 4.664 7.091 ( -4.930 -7.916 -0.727) 9.353 7.253 ( 2.292 0.025 -0.186) 2.300 8.001 ( 1.091 4.952 0.541) 5.100======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -3.472 -5.888 -0.183) 6.838 1.912 ( 0.506 0.807 0.073) 0.955 2.148 ( 2.323 3.286 0.423) 4.047 2.393 ( -0.921 -0.493 -0.400) 1.119 2.943 ( -7.953 -13.668 0.230) 15.815 3.730 ( 2.820 4.715 -0.258) 5.500 6.207 ( -1.814 -2.414 -0.018) 3.019 6.238 ( 0.850 0.460 -0.340) 1.024 6.521 ( 1.430 1.175 0.768) 2.004 6.884 ( -6.910 -11.219 -0.578) 13.189 7.268 ( 0.016 0.184 0.289) 0.343 8.103 ( 3.524 5.735 -0.064) 6.731======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( -3.764 -3.620 -0.176) 5.225 1.928 ( -0.201 1.382 -0.589) 1.515 2.192 ( -1.944 4.164 -1.853) 4.956 2.383 ( 0.757 -1.025 1.996) 2.368 2.686 ( -6.656 -11.787 0.515) 13.546 3.786 ( -0.715 3.130 -0.053) 3.211 6.142 ( -3.919 -1.030 -0.330) 4.066 6.248 ( -1.958 3.156 -0.525) 3.750 6.517 ( -3.666 -1.829 -1.981) 4.550 6.713 ( 2.973 -11.305 1.798) 11.827 7.271 ( 0.273 0.283 -0.059) 0.398 8.207 ( 2.476 4.814 -0.361) 5.425======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( -0.000 0.680 -0.281) 0.736 1.795 ( -0.000 -0.212 -1.426) 1.442 2.109 ( 0.000 1.749 0.043) 1.750 2.375 ( 0.000 2.307 0.126) 2.310 2.524 ( 0.000 -2.189 1.601) 2.712 3.926 ( 0.000 3.662 -0.392) 3.683 6.028 ( 0.000 1.928 -0.220) 1.940 6.301 ( -0.000 3.724 -1.860) 4.163 6.379 ( 0.000 0.738 0.154) 0.754 6.707 ( -0.000 -3.318 0.369) 3.338 7.214 ( -0.000 -1.834 0.209) 1.846 8.362 ( -0.000 0.231 -0.536) 0.583======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 4.919 0.238 0.103) 4.926 1.822 ( 1.748 2.000 1.767) 3.190 2.116 ( -0.469 0.421 0.709) 0.949 2.453 ( 7.635 0.501 -0.183) 7.654 2.499 ( -0.644 -2.201 -0.364) 2.322 3.925 ( -1.907 -0.204 -0.999) 2.162 6.087 ( 5.011 0.405 0.211) 5.032 6.304 ( -2.204 1.395 0.536) 2.663 6.401 ( 1.516 0.437 0.220) 1.593 6.702 ( 2.895 -1.402 -1.878) 3.725 7.209 ( 0.040 0.333 0.951) 1.009 8.330 ( -3.723 0.176 -0.448) 3.754======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 6.862 -1.042 -0.532) 6.961 1.879 ( 1.199 2.105 2.159) 3.245 2.106 ( -0.839 -0.862 1.561) 1.970 2.459 ( -1.139 -1.580 -1.994) 2.787 2.636 ( 13.823 -1.194 0.314) 13.878 3.856 ( -3.857 -3.004 -1.031) 4.996 6.171 ( 4.842 -2.297 -0.163) 5.362 6.266 ( -1.747 -1.893 0.571) 2.638 6.434 ( 0.930 1.765 2.095) 2.893 6.787 ( 8.190 1.047 -2.361) 8.587 7.221 ( -0.267 1.503 1.100) 1.881 8.242 ( -6.561 0.218 -0.162) 6.566======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 6.187 -3.449 -1.409) 7.222 1.904 ( -0.111 0.882 0.549) 1.045 2.080 ( -1.234 -1.669 1.921) 2.828 2.427 ( -0.422 -0.837 -2.302) 2.486 2.863 ( 14.534 -4.171 0.487) 15.129 3.746 ( -4.699 -3.069 -0.350) 5.623 6.180 ( 0.768 -4.419 -0.706) 4.540 6.230 ( 1.161 -4.281 0.089) 4.437 6.483 ( 0.427 3.837 3.464) 5.187 6.963 ( 10.830 0.787 -1.522) 10.965 7.223 ( -1.624 1.150 0.384) 2.026 8.129 ( -6.966 1.115 0.483) 7.071======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 2.585 -6.971 -1.742) 7.637 1.910 ( -0.025 0.414 -0.204) 0.462 2.063 ( 0.799 -0.657 1.955) 2.212 2.414 ( 0.038 -0.227 -2.162) 2.174 2.990 ( 7.192 -10.222 0.064) 12.498 3.673 ( -1.265 0.379 0.367) 1.371 6.149 ( 1.505 -4.423 -0.538) 4.703 6.211 ( 1.816 -4.805 0.096) 5.137 6.529 ( -0.537 3.355 3.570) 4.928 7.078 ( 0.971 -3.695 -0.467) 3.849 7.208 ( 0.950 1.491 -1.089) 2.077 8.064 ( -2.870 3.607 1.071) 4.732======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -0.035 -7.216 -0.610) 7.242 1.910 ( 0.300 -0.063 0.195) 0.364 2.110 ( 3.866 0.177 1.880) 4.303 2.404 ( -0.514 0.018 -2.279) 2.336 2.901 ( -2.890 -13.134 -0.160) 13.449 3.713 ( 3.386 1.832 0.183) 3.855 6.146 ( 2.917 -4.331 -0.123) 5.223 6.206 ( 2.405 -3.000 0.565) 3.886 6.542 ( -1.232 0.352 2.735) 3.020 6.939 ( -9.155 -5.159 -1.324) 10.591 7.255 ( 1.706 0.532 -0.288) 1.810 8.109 ( 2.054 5.244 0.799) 5.688======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 0.000 0.217 0.980) 1.004 1.849 ( 0.000 4.384 4.538) 6.310 2.122 ( 0.000 -0.795 1.792) 1.960 2.372 ( -0.000 -2.619 -0.273) 2.633 2.487 ( -0.000 -1.147 -2.764) 2.993 3.915 ( -0.000 -4.196 -1.637) 4.504 6.039 ( 0.000 -1.201 0.951) 1.532 6.348 ( 0.000 -0.358 3.615) 3.633 6.369 ( -0.000 -1.400 -0.963) 1.699 6.671 ( -0.000 1.693 -3.806) 4.165 7.226 ( 0.000 2.353 1.470) 2.774 8.362 ( -0.000 0.102 -0.525) 0.535======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( 3.790 -0.609 0.697) 3.902 1.908 ( -0.141 3.770 3.940) 5.455 2.111 ( -0.645 -1.964 3.368) 3.952 2.397 ( 5.802 -5.384 -0.246) 7.919 2.478 ( 2.277 1.017 -3.674) 4.441 3.841 ( -1.124 -7.628 -1.820) 7.922 6.059 ( 4.158 -3.728 0.765) 5.636 6.286 ( -3.251 -3.199 0.927) 4.654 6.406 ( 3.493 -1.146 1.926) 4.150 6.718 ( 2.811 4.964 -2.584) 6.263 7.257 ( -0.483 3.727 1.311) 3.980 8.330 ( -3.629 0.176 -0.463) 3.663======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 4.839 -2.716 -0.758) 5.600 1.924 ( -0.980 0.647 0.725) 1.380 2.081 ( -1.009 -3.240 4.248) 5.437 2.395 ( 1.526 -3.893 -3.204) 5.268 2.613 ( 11.195 -0.463 0.341) 11.210 3.732 ( -1.066 -9.058 -1.277) 9.210 6.081 ( 3.961 -6.761 -0.371) 7.845 6.202 ( -2.440 -3.990 0.266) 4.684 6.474 ( 4.193 -0.055 2.898) 5.098 6.844 ( 6.066 5.803 -0.283) 8.400 7.279 ( -1.910 3.912 0.377) 4.370 8.249 ( -5.980 0.635 -0.008) 6.014======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 3.430 -6.319 -2.433) 7.590 1.910 ( -0.191 -0.947 -0.498) 1.087 2.047 ( -0.170 -3.282 4.493) 5.567 2.380 ( 1.792 -2.995 -3.302) 4.805 2.775 ( 8.943 -4.077 0.623) 9.848 3.643 ( 1.053 -7.527 -0.437) 7.613 6.064 ( 2.948 -7.529 -0.860) 8.131 6.140 ( -0.225 -3.933 0.394) 3.959 6.541 ( 2.497 -0.712 3.409) 4.285 7.009 ( 6.003 4.676 1.195) 7.702 7.261 ( -4.022 2.923 -1.393) 5.164 8.163 ( -5.053 2.112 0.847) 5.542======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 2.523 -7.806 -1.655) 8.369 1.894 ( 0.424 -2.608 0.372) 2.669 2.055 ( 2.504 -1.537 4.013) 4.973 2.374 ( 1.940 -3.152 -3.128) 4.845 2.807 ( 1.275 -7.176 -0.353) 7.296 3.634 ( 4.896 -4.693 -0.197) 6.785 6.044 ( 3.448 -6.835 -0.229) 7.659 6.123 ( 2.295 -3.336 0.935) 4.156 6.550 ( -0.167 -3.480 2.840) 4.495 7.069 ( -6.233 3.470 0.445) 7.147 7.236 ( 0.756 1.910 -1.464) 2.522 8.145 ( -0.805 3.913 1.378) 4.226======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 0.000 -0.525 1.297) 1.399 1.953 ( 0.000 1.510 1.676) 2.256 2.117 ( 0.000 -1.386 7.352) 7.481 2.272 ( -0.000 -7.225 -0.400) 7.236 2.464 ( -0.000 1.969 -4.848) 5.232 3.745 ( -0.000 -12.121 -2.293) 12.336 5.981 ( -0.000 -5.574 0.939) 5.653 6.309 ( 0.000 -4.590 2.066) 5.033 6.330 ( -0.000 -1.438 -0.956) 1.727 6.755 ( 0.000 7.270 0.268) 7.275 7.311 ( 0.000 5.499 0.915) 5.574 8.363 ( -0.000 0.464 -0.727) 0.863======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 2.030 -1.908 0.121) 2.789 1.933 ( -0.844 -3.175 -1.552) 3.633 2.088 ( -2.331 -3.725 6.222) 7.617 2.260 ( 5.487 -7.973 -0.753) 9.707 2.516 ( 3.645 5.155 -0.987) 6.390 3.609 ( 0.801 -15.034 -2.080) 15.198 5.944 ( 2.916 -8.199 0.002) 8.702 6.220 ( -3.492 -3.265 0.064) 4.781 6.381 ( 5.252 -1.462 0.552) 5.480 6.852 ( 2.210 7.574 3.236) 8.527 7.360 ( -1.480 6.345 -0.127) 6.517 8.337 ( -3.481 0.949 -0.635) 3.664======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 1.629 -5.702 -2.597) 6.474 1.880 ( 0.381 -4.945 -1.676) 5.235 2.032 ( -0.786 -4.926 5.717) 7.587 2.262 ( 4.615 -7.712 -2.887) 9.439 2.651 ( 5.460 3.805 1.697) 6.868 3.488 ( 3.575 -15.199 -1.489) 15.685 5.912 ( 3.885 -9.771 -0.986) 10.561 6.142 ( -2.655 -1.978 0.292) 3.323 6.462 ( 5.133 -1.962 1.363) 5.662 6.991 ( 4.310 7.028 4.827) 9.554 7.373 ( -4.194 6.079 -1.912) 7.628 8.272 ( -5.144 1.855 0.114) 5.470======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 2.488 -8.671 -3.014) 9.511 1.839 ( 1.187 -6.484 0.642) 6.623 2.016 ( 1.730 -2.804 5.128) 6.096 2.255 ( 4.424 -7.774 -3.141) 9.480 2.744 ( 1.998 0.548 0.697) 2.186 3.442 ( 7.709 -12.583 -1.369) 14.820 5.887 ( 4.865 -9.592 -0.933) 10.796 6.098 ( -1.033 -0.806 1.277) 1.829 6.500 ( 2.015 -4.065 1.634) 4.822 7.146 ( 4.028 6.265 5.206) 9.087 7.318 ( -7.557 4.853 -4.260) 9.941 8.221 ( -3.516 3.178 1.313) 4.919======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -0.000 -2.123 -0.261) 2.139 1.876 ( -0.000 -7.824 -3.367) 8.518 2.095 ( -0.000 -10.506 0.287) 10.510 2.111 ( 0.000 -4.362 3.484) 5.582 2.555 ( 0.000 8.058 2.028) 8.309 3.421 ( -0.000 -19.666 -2.265) 19.796 5.833 ( -0.000 -9.397 -0.137) 9.398 6.232 ( -0.000 -2.861 -0.749) 2.957 6.316 ( 0.000 0.244 0.062) 0.252 6.917 ( 0.000 6.601 6.123) 9.003 7.443 ( 0.000 8.001 -1.027) 8.066 8.377 ( -0.000 1.570 -1.069) 1.900======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( -0.878 -5.546 -3.170) 6.448 1.786 ( 1.490 -9.699 -3.563) 10.440 1.989 ( -0.065 -8.961 3.621) 9.665 2.098 ( 3.783 -7.785 -1.410) 8.769 2.662 ( 1.634 7.794 4.254) 9.028 3.237 ( 3.525 -21.646 -2.069) 22.028 5.756 ( 2.311 -10.286 -0.750) 10.569 6.179 ( -2.841 -0.426 -0.591) 2.933 6.368 ( 4.338 -0.115 0.343) 4.353 7.013 ( 2.349 5.066 7.709) 9.519 7.500 ( -2.714 8.698 -2.393) 9.421 8.364 ( -3.168 2.266 -0.826) 3.981======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -0.126 -10.561 -5.253) 11.796 1.726 ( 2.871 -10.173 -0.116) 10.571 1.949 ( 2.907 -6.347 4.769) 8.455 2.084 ( 4.600 -8.360 -3.232) 10.074 2.757 ( 0.425 4.495 3.971) 6.013 3.131 ( 9.160 -19.706 -2.780) 21.908 5.708 ( 4.154 -10.116 -0.995) 10.980 6.137 ( -2.607 1.337 0.544) 2.980 6.429 ( 3.046 -1.709 0.621) 3.548 7.134 ( 4.356 3.516 6.995) 8.959 7.499 ( -6.505 8.677 -3.730) 11.468 8.323 ( -4.210 3.096 0.438) 5.244======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( -0.000 -6.792 -4.646) 8.229 1.632 ( -0.000 -14.087 -6.731) 15.613 1.895 ( 0.000 -9.875 2.734) 10.246 1.989 ( -0.000 -8.715 -0.081) 8.716 2.746 ( 0.000 7.967 6.141) 10.059 2.965 ( -0.000 -25.262 -2.316) 25.368 5.635 ( -0.000 -10.193 -0.692) 10.216 6.208 ( -0.000 1.206 -1.362) 1.819 6.337 ( 0.000 1.558 0.589) 1.665 7.053 ( 0.000 2.431 9.495) 9.802 7.610 ( -0.000 10.206 -3.064) 10.656 8.412 ( -0.000 2.702 -1.409) 3.047======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -4.093 -13.050 -8.056) 15.873 1.533 ( 5.720 -13.958 -4.107) 15.634 1.838 ( 2.423 -7.753 4.375) 9.226 1.924 ( 3.460 -9.694 -1.624) 10.420 2.746 ( 4.855 -24.680 3.319) 25.371 2.844 ( 1.008 5.396 -0.225) 5.494 5.554 ( 2.187 -9.597 -0.786) 9.875 6.204 ( -2.276 3.192 -0.438) 3.945 6.379 ( 2.288 1.014 0.395) 2.534 7.116 ( 2.648 0.449 9.193) 9.577 7.672 ( -3.772 10.606 -3.727) 11.858 8.412 ( -2.603 3.007 -0.854) 4.068======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -0.000 -14.118 -8.650) 16.557 1.265 ( -0.000 -18.351 -10.032) 20.914 1.767 ( -0.000 -15.139 1.643) 15.228 1.767 ( 0.000 -5.401 4.195) 6.839 2.434 ( -0.000 -26.795 -0.604) 26.802 2.917 ( 0.000 6.262 3.427) 7.138 5.445 ( -0.000 -8.591 -0.587) 8.611 6.261 ( 0.000 4.542 -0.710) 4.598 6.379 ( 0.000 2.304 0.544) 2.367 7.112 ( 0.000 -2.009 10.506) 10.696 7.802 ( -0.000 11.428 -3.991) 12.105 8.458 ( -0.000 2.621 -1.594) 3.067======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.349 ( 0.000 0.000 20.454) 20.454 0.349 ( 0.000 0.000 20.454) 20.454 0.698 ( 0.000 0.000 40.895) 40.895 1.638 ( -0.000 -0.000 -3.395) 3.395 1.638 ( -0.000 -0.000 -3.395) 3.395 3.547 ( -0.000 -0.000 -9.915) 9.915 5.198 ( 0.000 0.000 1.105) 1.105 5.198 ( 0.000 0.000 1.105) 1.105 6.475 ( -0.000 -0.000 -0.620) 0.620 6.475 ( -0.000 -0.000 -0.620) 0.620 8.417 ( 0.000 0.000 1.451) 1.451 8.644 ( -0.000 -0.000 -0.494) 0.494======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.429 ( 8.558 4.941 12.282) 15.764 0.579 ( 6.636 3.832 20.983) 22.339 1.123 ( 23.788 13.734 25.835) 37.708 1.664 ( 2.198 1.269 -2.695) 3.702 1.686 ( 5.625 3.247 -5.318) 8.394 3.142 ( -10.770 -6.218 0.621) 12.451 5.229 ( 2.455 1.418 1.204) 3.080 6.270 ( 38.953 22.489 -38.842) 59.429 6.451 ( 0.545 0.315 -3.203) 3.264 6.459 ( -1.191 -0.688 -0.654) 1.523 8.342 ( -9.442 -5.451 5.132) 12.050 8.509 ( -4.580 -2.645 2.757) 5.964======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( 12.783 7.380 4.614) 15.465 0.804 ( 9.164 5.291 12.540) 16.408 1.673 ( 14.531 8.389 11.557) 20.374 1.724 ( 3.788 2.187 -1.780) 4.722 1.906 ( 18.781 10.843 -2.039) 21.782 3.000 ( -2.900 -1.674 -3.972) 5.195 5.314 ( 4.778 2.758 1.067) 5.619 6.334 ( -4.981 -2.876 -1.763) 6.015 6.422 ( -1.813 -1.047 -0.613) 2.182 6.834 ( 18.493 10.677 -21.141) 30.049 8.093 ( -12.777 -7.377 6.648) 16.182 8.443 ( -2.904 -1.677 -1.427) 3.645======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 11.751 6.785 1.019) 13.607 1.055 ( 11.015 6.360 3.838) 13.286 1.828 ( 5.739 3.314 -0.701) 6.664 1.877 ( 5.881 3.395 -0.530) 6.811 2.410 ( 20.500 11.836 1.653) 23.729 2.985 ( 2.918 1.685 -0.503) 3.407 5.448 ( 6.836 3.947 0.727) 7.927 6.205 ( -5.549 -3.204 -1.993) 6.710 6.381 ( -1.614 -0.932 -0.461) 1.920 7.106 ( 10.273 5.931 -10.865) 16.086 7.817 ( -13.272 -7.663 5.181) 16.178 8.361 ( -3.626 -2.094 -2.610) 4.934======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( 8.628 4.981 -0.856) 10.000 1.315 ( 11.609 6.703 -1.464) 13.485 1.975 ( 3.462 1.999 -2.500) 4.715 1.977 ( 7.388 4.266 0.180) 8.533 2.707 ( 5.718 3.301 -1.759) 6.833 3.181 ( 13.298 7.678 4.588) 16.026 5.620 ( 8.080 4.665 0.248) 9.334 6.094 ( -3.270 -1.888 -2.401) 4.474 6.352 ( -0.833 -0.481 -0.152) 0.974 7.241 ( 3.875 2.237 -8.255) 9.390 7.530 ( -13.197 -7.619 5.133) 16.080 8.285 ( -2.109 -1.218 -1.976) 3.136======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 5.524 3.189 -1.536) 6.561 1.562 ( 10.876 6.279 -3.931) 13.159 2.032 ( 2.485 1.435 -2.347) 3.707 2.147 ( 7.277 4.202 0.507) 8.418 2.737 ( -1.832 -1.058 0.718) 2.234 3.497 ( 12.261 7.079 3.210) 14.517 5.802 ( 7.868 4.542 -0.346) 9.091 6.062 ( 1.240 0.716 -2.484) 2.867 6.342 ( -0.053 -0.031 0.347) 0.352 7.170 ( -9.880 -5.704 -6.213) 12.991 7.331 ( -3.457 -1.996 3.465) 5.286 8.263 ( 0.364 0.210 -0.439) 0.608======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 3.256 1.880 -1.487) 4.043 1.772 ( 8.570 4.948 -5.003) 11.089 2.086 ( 3.180 1.836 -1.814) 4.096 2.291 ( 5.104 2.947 0.460) 5.912 2.650 ( -5.971 -3.448 2.251) 7.253 3.726 ( 7.330 4.232 2.291) 8.769 5.959 ( 6.007 3.468 -0.956) 7.001 6.139 ( 6.168 3.561 -2.197) 7.453 6.346 ( 0.105 0.060 0.944) 0.952 6.895 ( -12.187 -7.036 -0.976) 14.106 7.290 ( -1.342 -0.775 -0.676) 1.691 8.286 ( 1.288 0.743 0.593) 1.601======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 1.528 0.882 -1.086) 2.071 1.908 ( 4.610 2.662 -3.998) 6.658 2.174 ( 5.310 3.066 -3.494) 7.057 2.370 ( 1.666 0.962 0.298) 1.947 2.500 ( -7.538 -4.352 3.278) 9.301 3.839 ( 2.182 1.260 2.215) 3.355 6.058 ( 2.868 1.656 -1.199) 3.522 6.317 ( 9.910 5.722 -2.117) 11.637 6.346 ( -0.512 -0.296 1.234) 1.369 6.636 ( -10.739 -6.200 1.872) 12.541 7.268 ( -0.240 -0.139 -1.155) 1.188 8.312 ( 0.683 0.394 0.980) 1.258======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 0.008 0.004 -0.421) 0.421 1.962 ( 0.826 0.477 -0.892) 1.306 2.274 ( 1.369 0.790 -4.165) 4.455 2.364 ( -2.221 -1.282 0.058) 2.565 2.371 ( -1.339 -0.773 1.925) 2.469 3.834 ( -3.294 -1.902 2.007) 4.300 6.074 ( -1.396 -0.806 -0.584) 1.714 6.331 ( -0.852 -0.492 0.685) 1.199 6.420 ( -8.047 -4.646 2.533) 9.631 6.567 ( 11.397 6.580 -1.298) 13.225 7.276 ( 1.223 0.706 -0.809) 1.628 8.321 ( -0.145 -0.084 1.357) 1.367======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( -1.565 -0.904 0.635) 1.916 1.932 ( -4.014 -2.317 2.685) 5.357 2.194 ( -4.476 -2.584 3.413) 6.194 2.272 ( -5.816 -3.358 -0.371) 6.726 2.475 ( 7.382 4.262 -6.508) 10.724 3.695 ( -9.566 -5.523 1.032) 11.094 5.990 ( -5.878 -3.394 0.366) 6.797 6.270 ( -5.743 -3.316 4.150) 7.822 6.319 ( -0.210 -0.121 -0.224) 0.330 6.827 ( 11.689 6.749 -4.228) 14.144 7.320 ( 2.786 1.608 0.409) 3.243 8.321 ( -0.026 -0.015 2.136) 2.136======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( -3.695 -2.133 2.422) 4.906 1.794 ( -9.183 -5.302 6.509) 12.442 2.109 ( -8.137 -4.698 -1.240) 9.477 2.112 ( -4.195 -2.422 2.023) 5.249 2.629 ( 7.599 4.387 -5.380) 10.293 3.405 ( -16.312 -9.418 -0.578) 18.845 5.826 ( -8.479 -4.895 0.714) 9.816 6.191 ( -2.211 -1.276 3.722) 4.513 6.322 ( 0.556 0.321 -0.584) 0.868 7.042 ( 8.260 4.769 -8.067) 12.492 7.412 ( 5.265 3.040 2.896) 6.734 8.341 ( 1.288 0.744 2.932) 3.288======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( -7.395 -4.270 5.340) 10.071 1.565 ( -13.000 -7.506 9.017) 17.511 1.919 ( -7.720 -4.457 -2.812) 9.348 1.991 ( -7.160 -4.134 -0.548) 8.286 2.778 ( 5.791 3.344 -0.988) 6.760 2.969 ( -21.039 -12.147 -3.484) 24.543 5.629 ( -8.828 -5.097 0.673) 10.216 6.192 ( 1.493 0.862 2.303) 2.877 6.342 ( 1.363 0.787 -0.599) 1.684 7.135 ( 2.433 1.405 -9.763) 10.159 7.580 ( 8.587 4.958 3.954) 10.675 8.394 ( 2.559 1.477 2.787) 4.062======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( 0.000 18.417 10.076) 20.994 0.705 ( 0.000 15.152 16.462) 22.373 1.107 ( 0.000 16.387 31.688) 35.674 1.603 ( -0.000 0.024 -5.759) 5.759 1.723 ( -0.000 9.140 -3.427) 9.762 3.141 ( -0.000 -13.440 -1.381) 13.511 5.231 ( 0.000 2.798 1.232) 3.058 6.143 ( -0.000 44.939 -34.191) 56.467 6.452 ( -0.000 -0.348 -2.268) 2.294 6.455 ( -0.000 -1.494 -0.749) 1.671 8.354 ( 0.000 -9.748 4.083) 10.569 8.531 ( 0.000 -4.402 2.054) 4.858======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( -1.750 20.656 6.812) 21.820 0.862 ( 0.210 12.416 16.704) 20.814 1.542 ( 16.648 13.914 18.864) 28.751 1.635 ( 5.236 0.720 -5.748) 7.808 1.851 ( 4.358 14.998 -3.096) 15.922 3.002 ( -2.507 -5.499 -5.067) 7.887 5.290 ( 2.477 4.208 1.245) 5.039 6.356 ( -1.679 -2.746 -2.680) 4.188 6.431 ( -0.690 -1.567 -0.724) 1.859 6.616 ( 14.294 20.318 -23.169) 33.970 8.192 ( -7.104 -11.831 5.868) 14.996 8.477 ( -2.888 -1.385 -0.717) 3.282======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 1.577 13.397 10.722) 17.231 1.069 ( 3.918 15.614 3.475) 16.469 1.733 ( 7.029 1.912 -3.596) 8.124 1.843 ( 5.200 6.474 2.423) 8.650 2.237 ( 17.194 18.841 2.942) 25.676 2.944 ( 1.591 -1.142 -3.655) 4.146 5.402 ( 4.587 5.656 1.119) 7.368 6.250 ( -4.681 -4.375 -1.602) 6.604 6.400 ( -1.312 -0.691 -0.730) 1.652 6.939 ( 12.653 8.913 -13.840) 20.763 7.949 ( -10.334 -10.399 5.369) 15.613 8.397 ( -3.988 -2.058 -2.264) 5.026======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 4.712 9.089 6.474) 12.113 1.295 ( 4.757 14.627 -1.495) 15.453 1.873 ( 7.129 2.676 -2.245) 7.939 1.968 ( 3.214 6.289 -0.785) 7.106 2.624 ( 9.547 8.551 -1.794) 12.942 3.059 ( 10.486 6.210 2.838) 12.513 5.558 ( 6.157 6.866 0.847) 9.261 6.127 ( -4.236 -3.293 -1.845) 5.674 6.375 ( -1.355 0.770 -0.686) 1.702 7.137 ( 7.872 2.619 -9.063) 12.287 7.679 ( -11.871 -8.921 4.804) 15.607 8.304 ( -3.180 -2.422 -2.200) 4.563======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( 4.569 6.685 2.326) 8.425 1.505 ( 5.583 11.930 -2.832) 13.472 1.978 ( 4.120 0.790 -2.495) 4.881 2.108 ( 5.026 8.167 0.155) 9.591 2.739 ( 1.347 0.886 -1.052) 1.925 3.366 ( 13.087 8.644 3.258) 16.019 5.739 ( 6.556 7.356 0.436) 9.863 6.053 ( -1.041 -0.872 -1.846) 2.292 6.367 ( -1.120 2.215 -0.488) 2.530 7.191 ( 0.066 -2.115 -9.000) 9.245 7.423 ( -9.904 -6.191 5.639) 12.970 8.247 ( -0.173 -2.031 -0.864) 2.214======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 2.470 5.312 0.116) 5.860 1.697 ( 6.067 8.659 -3.436) 11.117 2.039 ( 3.468 0.736 -1.858) 4.003 2.269 ( 4.117 7.673 0.609) 8.729 2.713 ( -3.702 -1.568 0.644) 4.072 3.636 ( 9.434 5.388 2.186) 11.082 5.912 ( 5.380 6.721 -0.102) 8.609 6.076 ( 3.721 1.989 -1.507) 4.480 6.374 ( -1.065 3.022 -0.132) 3.207 7.025 ( -10.536 -5.632 -3.778) 12.530 7.305 ( -2.211 -2.024 1.145) 3.209 8.249 ( 2.308 -1.830 0.405) 2.973======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 0.583 4.274 -0.590) 4.354 1.846 ( 4.768 4.626 -3.950) 7.729 2.111 ( 4.327 1.792 -1.903) 5.055 2.384 ( 1.285 5.704 0.842) 5.907 2.602 ( -7.205 -1.647 1.241) 7.494 3.799 ( 5.048 1.780 2.151) 5.769 6.041 ( 2.970 5.270 -0.561) 6.075 6.199 ( 7.581 3.229 -1.078) 8.310 6.386 ( -1.156 3.436 0.009) 3.625 6.779 ( -11.466 -4.218 0.354) 12.223 7.269 ( -0.699 -0.766 -1.023) 1.456 8.277 ( 2.685 -2.164 0.921) 3.569======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.559 ( -0.926 3.149 -0.534) 3.325 1.927 ( 2.901 1.068 -2.572) 4.021 2.198 ( 4.432 1.148 -4.041) 6.107 2.414 ( -2.368 -0.380 2.567) 3.513 2.481 ( -7.289 4.691 0.236) 8.671 3.852 ( 0.174 -1.285 2.310) 2.649 6.103 ( -0.707 3.223 -0.538) 3.343 6.312 ( 2.064 -2.004 0.481) 2.917 6.452 ( 5.000 6.163 -2.751) 8.400 6.581 ( -8.585 0.371 3.754) 9.378 7.261 ( 0.594 0.101 -1.262) 1.399 8.296 ( 1.927 -2.640 1.146) 3.463======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( -2.212 1.608 0.040) 2.735 1.950 ( 0.092 -1.288 0.173) 1.303 2.217 ( -0.594 -3.116 -1.813) 3.654 2.347 ( -4.128 -1.254 1.878) 4.705 2.465 ( -2.152 8.731 -2.820) 9.424 3.787 ( -5.847 -3.923 1.861) 7.283 6.069 ( -5.226 0.163 0.141) 5.230 6.273 ( -1.776 -4.730 1.385) 5.239 6.426 ( -6.341 2.956 1.260) 7.109 6.705 ( 9.696 8.204 -2.054) 12.866 7.285 ( 2.294 0.505 -0.593) 2.422 8.301 ( 1.510 -2.713 1.587) 3.487======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -3.496 -0.807 1.370) 3.841 1.894 ( -5.018 -2.901 3.151) 6.597 2.147 ( -3.102 -3.232 -0.138) 4.482 2.232 ( -8.511 -1.033 1.316) 8.674 2.557 ( 4.348 6.956 -4.967) 9.590 3.582 ( -13.121 -6.267 0.819) 14.564 5.938 ( -8.738 -2.338 0.651) 9.069 6.200 ( -1.538 -4.186 2.302) 5.018 6.381 ( -4.048 4.540 0.391) 6.095 6.933 ( 8.933 6.964 -5.767) 12.710 7.349 ( 4.703 0.674 1.286) 4.922 8.312 ( 2.232 -2.060 2.134) 3.712======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( -5.574 -4.876 4.064) 8.447 1.750 ( -10.084 -2.463 4.987) 11.517 2.020 ( -8.103 -3.325 -3.544) 9.449 2.082 ( -7.763 -1.510 2.295) 8.235 2.698 ( 6.511 5.045 -4.030) 9.170 3.228 ( -20.594 -7.946 0.086) 22.074 5.750 ( -10.054 -3.299 0.789) 10.611 6.169 ( 1.014 -2.038 1.696) 2.839 6.370 ( -2.153 3.754 -0.183) 4.332 7.082 ( 4.135 4.554 -8.670) 10.630 7.476 ( 8.452 1.470 3.376) 9.219 8.352 ( 3.517 -1.098 2.021) 4.203======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 0.000 19.538 5.109) 20.194 1.084 ( 0.000 14.632 12.924) 19.523 1.580 ( -0.000 1.924 -7.742) 7.978 1.588 ( 0.000 15.523 18.796) 24.377 1.973 ( 0.000 19.016 -1.716) 19.093 2.946 ( -0.000 -5.901 -6.287) 8.623 5.321 ( 0.000 5.760 1.159) 5.876 6.338 ( -0.000 -3.139 -1.483) 3.472 6.412 ( -0.000 -2.341 -0.753) 2.459 6.642 ( -0.000 19.265 -19.110) 27.136 8.138 ( 0.000 -13.574 4.870) 14.421 8.488 ( -0.000 -1.602 -1.424) 2.143======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -4.566 12.408 13.431) 18.846 1.214 ( 0.087 19.112 0.996) 19.138 1.636 ( 5.378 3.942 -6.048) 9.002 1.827 ( 5.942 8.291 6.732) 12.222 2.240 ( 7.468 22.860 0.896) 24.066 2.889 ( 1.205 -2.582 -4.570) 5.386 5.408 ( 2.447 7.172 1.143) 7.664 6.269 ( -3.116 -4.399 -1.085) 5.499 6.394 ( 0.442 -1.659 -0.773) 1.883 6.822 ( 7.494 11.005 -12.906) 18.543 7.977 ( -4.812 -12.788 4.268) 14.315 8.436 ( -3.243 -1.920 -2.369) 4.452======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( -2.083 10.393 10.174) 14.692 1.398 ( 1.087 16.794 -2.281) 16.983 1.781 ( 6.862 5.056 -2.538) 8.893 1.976 ( 3.495 6.498 -0.062) 7.378 2.570 ( 7.660 12.357 -2.754) 14.797 2.967 ( 8.074 6.373 2.210) 10.521 5.547 ( 4.435 8.487 1.193) 9.650 6.160 ( -4.166 -3.616 -1.447) 5.703 6.390 ( 0.225 0.251 -1.108) 1.158 7.000 ( 8.184 3.492 -8.189) 12.093 7.764 ( -7.794 -10.918 3.804) 13.944 8.339 ( -4.509 -2.419 -2.628) 5.752======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 0.685 8.874 6.798) 11.199 1.564 ( 1.899 13.909 -3.481) 14.463 1.909 ( 4.428 2.018 -1.924) 5.233 2.116 ( 4.625 9.186 -0.253) 10.288 2.709 ( 3.293 2.320 -2.472) 4.726 3.256 ( 11.806 11.074 3.188) 16.497 5.723 ( 5.418 9.242 1.148) 10.774 6.069 ( -2.695 -1.472 -1.474) 3.406 6.401 ( -0.058 2.390 -1.456) 2.800 7.105 ( 4.940 -1.122 -6.706) 8.404 7.534 ( -9.133 -8.336 3.891) 12.963 8.241 ( -2.766 -2.796 -1.825) 4.336======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 0.916 7.788 3.803) 8.716 1.715 ( 2.565 10.764 -2.696) 11.389 1.976 ( 3.654 0.251 -2.007) 4.177 2.289 ( 4.131 9.540 0.906) 10.435 2.744 ( -0.312 0.699 -0.697) 1.035 3.536 ( 9.592 6.974 1.623) 11.970 5.903 ( 4.845 8.671 0.933) 9.976 6.048 ( 1.047 1.404 -1.050) 2.042 6.423 ( -0.535 3.690 -1.648) 4.076 7.088 ( -2.997 -3.217 -5.671) 7.175 7.346 ( -5.724 -4.591 3.376) 8.077 8.192 ( 0.829 -3.325 -0.491) 3.462======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -0.414 6.911 1.537) 7.092 1.832 ( 2.022 6.179 -2.182) 6.858 2.045 ( 4.581 1.107 -1.541) 4.959 2.421 ( 1.693 5.570 1.584) 6.033 2.716 ( -4.692 3.617 -0.622) 5.957 3.721 ( 6.672 2.015 1.377) 7.105 6.047 ( 3.335 6.460 0.633) 7.298 6.126 ( 4.743 3.763 -0.493) 6.074 6.440 ( -1.084 3.536 -1.741) 4.088 6.932 ( -9.719 -1.664 -1.102) 9.922 7.272 ( -1.167 -1.558 0.009) 1.947 8.193 ( 3.307 -4.116 0.385) 5.295======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( -1.996 5.909 0.525) 6.259 1.894 ( 1.654 1.943 -2.010) 3.249 2.130 ( 4.084 1.097 -2.182) 4.759 2.447 ( -1.600 -1.182 2.279) 3.025 2.679 ( -7.098 10.368 -1.016) 12.606 3.812 ( 3.523 -1.683 1.812) 4.304 6.145 ( 0.817 4.941 0.551) 5.039 6.241 ( 4.844 1.182 -0.034) 4.986 6.453 ( 0.314 3.032 -2.342) 3.844 6.767 ( -9.964 3.361 2.089) 10.721 7.253 ( -0.085 -0.175 -1.286) 1.301 8.213 ( 3.715 -4.769 0.717) 6.087======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( -3.578 4.227 0.377) 5.551 1.923 ( 1.435 -0.307 -1.005) 1.779 2.172 ( 1.685 -1.609 -2.950) 3.759 2.395 ( -2.691 -1.528 2.525) 3.993 2.659 ( -7.997 11.722 -1.304) 14.249 3.814 ( -0.938 -3.759 1.839) 4.289 6.158 ( -3.483 1.748 0.757) 3.970 6.264 ( -1.107 -2.827 0.611) 3.097 6.507 ( 1.637 2.538 -2.745) 4.082 6.717 ( -2.694 9.876 2.268) 10.485 7.256 ( 1.024 -0.114 -1.216) 1.594 8.227 ( 3.245 -4.848 0.927) 5.907======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -4.982 1.418 1.057) 5.287 1.923 ( -0.718 -1.507 0.651) 1.792 2.146 ( -0.838 -2.878 -2.395) 3.837 2.342 ( -4.141 -0.487 2.261) 4.743 2.637 ( -5.581 9.601 -2.256) 11.332 3.710 ( -7.387 -4.589 1.235) 8.784 6.069 ( -7.724 -0.613 0.920) 7.803 6.195 ( -2.318 -3.773 0.975) 4.534 6.507 ( -4.138 4.502 -0.759) 6.162 6.861 ( 6.273 9.063 -2.253) 11.250 7.283 ( 3.094 -0.830 0.062) 3.204 8.239 ( 3.292 -4.113 1.086) 5.379======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -6.502 -2.221 2.781) 7.412 1.865 ( -4.909 -1.485 1.830) 5.445 2.074 ( -3.659 -2.767 -4.092) 6.147 2.236 ( -8.777 -0.058 3.027) 9.285 2.670 ( 1.175 6.169 -2.586) 6.792 3.478 ( -15.218 -4.385 0.855) 15.860 5.904 ( -10.413 -1.659 0.961) 10.588 6.141 ( -0.345 -2.765 0.527) 2.836 6.470 ( -4.680 3.832 -0.542) 6.073 7.037 ( 5.497 7.276 -5.974) 10.901 7.354 ( 6.635 -1.445 2.603) 7.273 8.270 ( 4.136 -2.899 0.741) 5.105======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 0.000 7.058 6.155) 9.365 1.394 ( 0.000 17.134 1.945) 17.244 1.633 ( -0.000 9.242 -4.996) 10.506 1.873 ( 0.000 7.652 5.390) 9.360 2.405 ( 0.000 21.656 -1.410) 21.702 2.850 ( -0.000 0.578 -1.369) 1.486 5.466 ( 0.000 8.369 0.810) 8.408 6.257 ( -0.000 -3.799 -1.056) 3.943 6.363 ( -0.000 -2.200 -0.549) 2.268 6.827 ( -0.000 8.376 -9.403) 12.593 7.897 ( 0.000 -13.253 3.117) 13.615 8.440 ( -0.000 -1.942 -2.727) 3.348======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( -1.188 4.769 2.980) 5.748 1.552 ( -0.512 15.375 -1.152) 15.427 1.761 ( 3.012 10.518 -0.095) 10.941 1.973 ( 3.358 5.152 -0.749) 6.195 2.582 ( 2.791 8.667 -4.508) 10.161 2.953 ( 4.753 12.922 4.877) 14.607 5.577 ( 2.656 9.333 0.735) 9.732 6.188 ( -3.230 -2.864 -1.576) 4.595 6.363 ( 1.919 -0.953 -0.828) 2.297 6.905 ( 4.360 3.223 -5.738) 7.894 7.751 ( -3.241 -12.202 2.356) 12.843 8.382 ( -3.522 -1.893 -2.856) 4.913======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 1.068 5.476 3.502) 6.587 1.676 ( -0.230 13.282 -3.671) 13.782 1.880 ( 1.766 4.131 0.042) 4.493 2.113 ( 6.066 8.767 -1.276) 10.737 2.663 ( 3.345 1.292 -2.012) 4.112 3.228 ( 7.476 15.532 3.748) 17.641 5.736 ( 4.542 9.947 0.909) 10.973 6.104 ( -3.362 -0.996 -1.703) 3.897 6.396 ( 2.155 1.122 -1.673) 2.950 6.987 ( 5.374 -1.068 -3.606) 6.559 7.574 ( -5.229 -10.093 2.061) 11.552 8.280 ( -4.999 -1.910 -2.482) 5.899======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 1.900 6.439 4.068) 7.850 1.788 ( 0.734 10.952 -3.356) 11.478 1.923 ( 1.902 0.269 -1.309) 2.325 2.307 ( 5.200 9.358 0.852) 10.739 2.726 ( 3.350 1.092 -0.495) 3.558 3.482 ( 6.422 10.109 1.398) 12.058 5.916 ( 4.686 9.432 1.038) 10.583 6.061 ( -1.169 1.600 -1.218) 2.326 6.441 ( 1.445 2.421 -2.485) 3.758 7.039 ( 3.555 -2.254 -2.874) 5.097 7.401 ( -5.673 -7.066 2.163) 9.316 8.179 ( -3.425 -2.479 -1.607) 4.523======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 0.465 6.974 2.876) 7.558 1.877 ( -0.379 6.117 -0.846) 6.187 1.972 ( 4.566 1.155 -1.938) 5.093 2.440 ( 1.900 3.741 1.714) 4.532 2.803 ( 1.366 6.915 -0.701) 7.083 3.643 ( 4.823 3.180 0.430) 5.793 6.058 ( 2.587 5.816 0.735) 6.408 6.107 ( 2.922 5.327 -0.137) 6.078 6.468 ( 0.146 1.624 -2.873) 3.304 7.037 ( -2.450 0.655 -1.478) 2.935 7.279 ( -2.522 -3.501 1.340) 4.518 8.116 ( 0.115 -3.966 -0.628) 4.017======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -1.579 7.002 1.615) 7.357 1.899 ( -0.422 1.616 -0.655) 1.794 2.065 ( 4.318 1.341 -1.284) 4.700 2.458 ( -0.783 -1.467 1.532) 2.261 2.889 ( -3.285 13.351 -0.971) 13.784 3.721 ( 4.385 -2.696 0.776) 5.206 6.162 ( 3.438 5.113 0.965) 6.237 6.201 ( 2.041 3.233 0.221) 3.830 6.462 ( -0.353 -0.311 -2.813) 2.852 6.974 ( -7.611 5.860 1.174) 9.677 7.248 ( 0.117 -0.587 -0.764) 0.971 8.098 ( 3.184 -5.576 0.024) 6.421======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( -3.999 6.008 1.089) 7.298 1.904 ( 0.366 0.072 -0.589) 0.697 2.116 ( 2.313 -1.576 -1.602) 3.225 2.422 ( -1.633 -1.502 1.493) 2.674 2.925 ( -8.283 13.929 -1.017) 16.237 3.752 ( 3.516 -5.319 1.180) 6.484 6.216 ( -1.682 0.815 0.866) 2.060 6.259 ( 1.123 1.592 0.816) 2.112 6.464 ( 2.871 0.226 -2.945) 4.119 6.927 ( -7.541 10.308 2.173) 12.955 7.243 ( -0.137 -0.365 -1.458) 1.509 8.108 ( 4.429 -5.925 0.275) 7.403======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -6.310 3.003 1.234) 7.097 1.910 ( 0.658 -0.463 -0.187) 0.827 2.115 ( 0.699 -2.395 -1.867) 3.116 2.390 ( -1.816 -0.352 1.794) 2.577 2.876 ( -10.654 10.017 -0.962) 14.655 3.736 ( -0.412 -4.619 0.826) 4.710 6.165 ( -3.941 -1.305 0.997) 4.270 6.227 ( -4.296 -1.153 0.431) 4.469 6.540 ( 3.699 2.295 -2.909) 5.236 6.937 ( -3.782 10.678 1.311) 11.403 7.233 ( 1.044 -1.878 -0.728) 2.268 8.131 ( 4.427 -4.711 0.181) 6.467======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( -7.588 -0.411 2.051) 7.871 1.906 ( -1.095 -0.570 0.460) 1.318 2.082 ( -1.535 -1.686 -3.650) 4.304 2.353 ( -3.824 0.119 2.899) 4.800 2.781 ( -7.823 5.241 -0.850) 9.454 3.639 ( -7.323 -2.549 0.431) 7.766 6.057 ( -8.191 -1.054 0.850) 8.302 6.142 ( -2.958 -1.877 -0.082) 3.505 6.565 ( -2.541 1.911 -2.361) 3.960 7.021 ( 2.946 7.762 -1.831) 8.502 7.249 ( 3.679 -2.841 1.470) 4.875 8.168 ( 4.385 -2.829 -0.331) 5.228======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -0.000 1.642 -2.246) 2.782 1.695 ( 0.000 13.328 -1.144) 13.377 1.866 ( 0.000 13.209 1.157) 13.259 1.964 ( -0.000 1.462 -4.173) 4.422 2.601 ( -0.000 2.199 -1.837) 2.865 3.095 ( 0.000 19.659 5.798) 20.497 5.647 ( 0.000 9.585 0.101) 9.586 6.192 ( -0.000 -1.499 -2.780) 3.158 6.328 ( -0.000 -1.070 -0.024) 1.070 6.880 ( -0.000 1.092 -2.810) 3.015 7.662 ( -0.000 -12.022 1.171) 12.079 8.390 ( -0.000 -1.402 -2.807) 3.138======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 2.494 2.165 -1.651) 3.692 1.797 ( -1.017 11.038 -4.371) 11.915 1.918 ( -1.479 2.394 -1.203) 3.061 2.078 ( 7.046 9.255 -1.515) 11.730 2.623 ( 1.581 -0.361 1.657) 2.318 3.326 ( 2.514 18.554 3.918) 19.129 5.767 ( 3.126 9.545 -0.050) 10.044 6.147 ( -2.777 0.165 -3.042) 4.122 6.351 ( 2.938 0.213 -0.669) 3.021 6.898 ( 2.738 -1.673 -0.565) 3.258 7.534 ( -1.982 -10.623 0.482) 10.817 8.338 ( -3.716 -0.921 -2.487) 4.565======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 4.907 3.365 0.680) 5.989 1.860 ( 0.558 6.727 -6.876) 9.635 1.922 ( -0.715 2.394 1.114) 2.735 2.296 ( 7.057 9.234 0.135) 11.623 2.661 ( 3.723 -1.136 2.147) 4.446 3.533 ( 2.038 13.370 1.628) 13.622 5.928 ( 4.781 9.043 0.158) 10.230 6.106 ( -2.234 2.342 -2.344) 3.996 6.410 ( 3.180 1.139 -1.861) 3.857 6.935 ( 4.517 -3.052 0.483) 5.473 7.400 ( -2.890 -8.211 0.354) 8.712 8.242 ( -5.726 -0.703 -1.956) 6.091======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 4.616 4.389 1.675) 6.586 1.908 ( 2.140 -0.478 -1.741) 2.800 1.953 ( -0.397 7.049 -1.345) 7.187 2.445 ( 2.014 3.428 1.474) 4.240 2.774 ( 8.201 4.036 0.562) 9.158 3.650 ( -0.068 6.596 0.083) 6.597 6.077 ( 2.591 6.266 -0.019) 6.780 6.123 ( 1.260 5.349 -0.801) 5.554 6.454 ( 1.512 0.160 -2.427) 2.864 7.001 ( 5.592 -0.920 0.461) 5.686 7.288 ( -2.648 -5.005 0.652) 5.700 8.132 ( -5.270 -1.411 -1.324) 5.614======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 2.135 5.382 1.110) 5.895 1.915 ( 0.022 -0.430 0.173) 0.463 2.022 ( 2.015 3.211 -0.971) 3.914 2.460 ( -0.735 -1.234 1.084) 1.799 2.988 ( 6.993 10.694 -0.079) 12.778 3.664 ( -1.154 -0.864 -0.235) 1.460 6.161 ( 2.337 5.228 0.317) 5.736 6.211 ( 1.754 4.254 0.044) 4.602 6.446 ( -0.277 -2.043 -2.156) 2.983 7.091 ( 1.861 4.143 0.390) 4.558 7.230 ( -0.049 -1.920 0.444) 1.971 8.038 ( -2.448 -3.357 -0.683) 4.211======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -1.032 5.623 0.859) 5.781 1.909 ( -0.861 0.454 0.073) 0.976 2.057 ( 1.792 -2.153 -0.601) 2.865 2.432 ( -0.917 -1.263 0.590) 1.669 3.167 ( -1.992 14.644 -0.450) 14.786 3.623 ( 2.546 -7.711 0.311) 8.127 6.237 ( 0.138 0.966 0.441) 1.071 6.271 ( 1.681 4.980 1.003) 5.351 6.411 ( 0.718 -2.924 -2.270) 3.771 7.127 ( -3.719 7.252 1.637) 8.312 7.238 ( 0.481 -0.058 -1.154) 1.252 7.990 ( 1.944 -4.811 -0.213) 5.193======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -6.368 2.953 1.072) 7.101 1.899 ( 0.307 -0.033 -0.055) 0.313 2.064 ( 2.368 -2.119 -0.720) 3.258 2.412 ( -0.868 -0.445 0.765) 1.240 3.160 ( -11.839 8.890 -0.365) 14.809 3.637 ( 6.200 -5.522 0.207) 8.305 6.211 ( -2.871 -0.709 0.897) 3.090 6.289 ( -2.964 0.086 0.145) 2.969 6.458 ( 6.009 1.215 -2.091) 6.478 7.133 ( -5.745 8.265 1.654) 10.201 7.207 ( -1.082 -2.959 -1.017) 3.311 8.009 ( 4.771 -3.284 -0.317) 5.800======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( -7.749 -0.956 1.353) 7.924 1.908 ( 0.341 0.115 0.145) 0.388 2.079 ( 0.134 0.319 -1.702) 1.737 2.397 ( -0.986 -0.084 1.860) 2.107 2.990 ( -12.356 0.866 -0.034) 12.386 3.676 ( 0.839 -0.705 -0.284) 1.132 6.145 ( -4.248 -0.702 0.428) 4.327 6.212 ( -5.269 -0.622 -0.102) 5.306 6.557 ( 3.725 0.961 -2.846) 4.786 7.075 ( -3.649 -0.901 0.315) 3.771 7.200 ( 0.686 1.284 0.974) 1.752 8.072 ( 4.689 -0.525 -0.829) 4.791======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -0.000 1.505 -2.822) 3.198 1.872 ( -0.000 3.903 -11.482) 12.127 1.938 ( 0.000 2.733 0.672) 2.814 2.110 ( 0.000 10.671 1.256) 10.745 2.612 ( 0.000 -1.413 4.554) 4.768 3.497 ( 0.000 17.467 2.977) 17.719 5.824 ( 0.000 8.422 -0.744) 8.455 6.171 ( -0.000 1.632 -4.842) 5.110 6.325 ( 0.000 0.648 0.667) 0.930 6.856 ( 0.000 -2.810 1.647) 3.257 7.449 ( -0.000 -9.760 -0.455) 9.770 8.359 ( -0.000 -0.288 -2.164) 2.183======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 4.298 1.908 -1.388) 4.903 1.848 ( 0.852 -0.572 -8.887) 8.946 1.986 ( -0.703 5.781 0.661) 5.861 2.265 ( 6.075 8.609 0.303) 10.541 2.613 ( 0.948 -2.641 4.642) 5.424 3.658 ( -0.072 13.514 1.390) 13.585 5.932 ( 3.846 7.380 -0.759) 8.357 6.161 ( -1.891 3.291 -4.115) 5.598 6.363 ( 2.716 1.161 -0.171) 2.959 6.847 ( 2.153 -3.910 2.453) 5.093 7.352 ( -0.962 -7.733 -0.639) 7.818 8.320 ( -3.822 0.175 -1.734) 4.200======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 6.873 2.298 0.115) 7.248 1.857 ( 2.600 -0.400 -3.653) 4.502 2.024 ( -1.002 5.076 -0.313) 5.183 2.441 ( 4.164 4.916 0.472) 6.459 2.649 ( 6.906 -1.277 2.614) 7.494 3.750 ( -2.153 8.322 -0.008) 8.596 6.077 ( 4.754 6.172 -0.664) 7.819 6.166 ( -0.852 4.812 -2.271) 5.389 6.416 ( 2.294 0.271 -0.885) 2.474 6.877 ( 5.610 -3.704 1.794) 6.958 7.271 ( -1.065 -4.770 -0.133) 4.889 8.230 ( -6.408 0.312 -1.283) 6.543======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 6.610 2.269 -0.085) 6.989 1.890 ( 1.911 -0.480 -0.233) 1.984 2.052 ( -0.740 3.555 -0.246) 3.640 2.469 ( -1.185 -0.812 0.739) 1.616 2.865 ( 14.270 3.963 0.671) 14.825 3.742 ( -5.370 3.096 -0.631) 6.231 6.183 ( 1.743 5.426 -0.505) 5.721 6.217 ( 1.777 3.604 -0.850) 4.107 6.427 ( -0.083 -1.547 -0.411) 1.603 6.988 ( 9.770 -1.224 0.244) 9.849 7.226 ( -0.639 -1.615 0.674) 1.863 8.110 ( -7.254 -0.222 -0.793) 7.300======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 4.223 2.188 -0.479) 4.780 1.907 ( 1.592 -0.318 0.300) 1.651 2.049 ( -2.288 0.065 0.239) 2.302 2.437 ( -1.023 -1.099 0.023) 1.502 3.160 ( 14.239 5.400 0.360) 15.233 3.629 ( -8.552 -1.479 -0.441) 8.690 6.244 ( 0.485 1.378 -0.154) 1.469 6.283 ( 2.937 4.268 -0.364) 5.194 6.388 ( -1.960 -2.374 0.212) 3.086 7.149 ( 7.732 1.266 -0.875) 7.883 7.218 ( 0.183 -0.154 1.109) 1.134 7.991 ( -5.388 -0.913 -0.223) 5.469======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -0.009 -0.002 0.001) 0.009 1.971 ( -3.826 -4.429 -0.008) 5.852 1.992 ( 3.254 3.779 0.007) 4.987 2.418 ( -0.464 -0.514 -0.000) 0.692 3.430 ( -11.778 -3.179 0.031) 12.200 3.431 ( 11.973 3.401 -0.031) 12.447 6.243 ( -0.689 -0.370 0.123) 0.791 6.324 ( -1.926 -3.201 -0.334) 3.750 6.385 ( 3.516 4.619 0.217) 5.809 7.195 ( -1.101 -1.984 -0.040) 2.270 7.245 ( 0.397 1.165 0.035) 1.231 7.941 ( 0.479 0.522 -0.000) 0.708======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( -5.919 -4.235 0.304) 7.284 1.902 ( 0.478 0.071 0.171) 0.513 2.076 ( 2.032 3.340 -0.233) 3.917 2.406 ( -0.368 -0.602 0.556) 0.899 3.173 ( -11.694 -7.926 0.201) 14.129 3.624 ( 5.873 4.607 -0.387) 7.474 6.213 ( -3.319 0.466 0.995) 3.496 6.262 ( -1.968 -2.086 -0.974) 3.028 6.486 ( 4.292 2.168 -1.020) 4.916 7.088 ( -4.609 -8.563 -0.102) 9.725 7.249 ( -1.438 2.498 0.746) 2.977 8.006 ( 4.073 3.222 -0.478) 5.215======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -0.000 1.512 -1.427) 2.079 1.802 ( -0.000 -1.214 -6.960) 7.065 2.045 ( 0.000 4.689 0.180) 4.692 2.287 ( 0.000 6.752 0.575) 6.776 2.591 ( 0.000 -3.359 4.359) 5.503 3.784 ( 0.000 10.781 0.453) 10.790 5.955 ( 0.000 5.412 -0.824) 5.474 6.203 ( -0.000 4.403 -4.674) 6.421 6.354 ( 0.000 1.615 0.694) 1.757 6.796 ( 0.000 -4.632 2.566) 5.296 7.289 ( -0.000 -5.982 -0.593) 6.011 8.352 ( -0.000 0.455 -1.406) 1.478======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 5.071 1.416 -0.455) 5.284 1.802 ( 2.142 0.243 -2.602) 3.379 2.079 ( -0.600 3.438 0.128) 3.492 2.397 ( 5.829 4.791 -0.059) 7.546 2.569 ( 0.762 -3.983 2.878) 4.973 3.858 ( -1.528 6.715 -0.587) 6.912 6.041 ( 4.563 4.155 -0.529) 6.194 6.226 ( -1.293 5.166 -2.615) 5.933 6.387 ( 1.664 1.014 0.010) 1.949 6.772 ( 2.330 -4.947 1.105) 5.579 7.240 ( -0.205 -3.406 0.184) 3.418 8.321 ( -3.788 0.572 -1.095) 3.985======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 7.305 0.687 -0.571) 7.360 1.851 ( 2.579 1.072 0.573) 2.851 2.096 ( -0.839 2.274 0.546) 2.484 2.482 ( -0.709 -0.540 -0.314) 0.945 2.648 ( 12.672 -0.117 1.117) 12.722 3.855 ( -4.102 2.724 -1.112) 5.048 6.163 ( 5.155 2.903 -0.701) 5.958 6.247 ( -1.103 3.774 -0.598) 3.977 6.416 ( 0.751 0.217 0.510) 0.934 6.808 ( 7.547 -3.407 -0.734) 8.313 7.219 ( 0.019 -0.981 0.971) 1.380 8.234 ( -6.657 0.537 -0.733) 6.719======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( 7.386 -0.524 -1.067) 7.481 1.892 ( 0.839 0.473 0.716) 1.200 2.093 ( -1.722 0.668 1.024) 2.112 2.444 ( -1.251 -1.437 -0.948) 2.128 2.909 ( 16.522 -0.127 0.708) 16.538 3.770 ( -7.121 0.276 -0.850) 7.177 6.235 ( 1.184 -1.081 -1.298) 2.063 6.266 ( 1.531 1.676 0.073) 2.271 6.421 ( -1.238 1.710 1.917) 2.851 6.959 ( 12.296 -0.905 -1.484) 12.418 7.219 ( -0.122 -0.164 1.181) 1.199 8.112 ( -7.863 0.646 -0.185) 7.892======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 5.452 -3.971 -1.108) 6.836 1.899 ( -0.015 0.343 0.024) 0.345 2.058 ( -2.646 0.898 0.678) 2.875 2.418 ( -0.330 -0.680 -0.851) 1.139 3.157 ( 13.941 -5.646 0.243) 15.043 3.638 ( -8.232 2.339 -0.026) 8.558 6.220 ( 0.784 -2.841 -1.154) 3.165 6.289 ( 1.192 -2.885 0.133) 3.124 6.440 ( -1.260 5.645 2.273) 6.215 7.145 ( 9.614 -1.408 -1.183) 9.788 7.201 ( -1.662 -1.561 0.434) 2.321 8.006 ( -5.350 2.281 0.472) 5.835======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 0.000 1.174 0.177) 1.187 1.792 ( 0.000 2.274 0.740) 2.391 2.112 ( 0.000 2.090 0.608) 2.177 2.376 ( 0.000 2.138 0.016) 2.138 2.534 ( 0.000 -3.816 0.897) 3.920 3.919 ( -0.000 3.310 -1.391) 3.591 6.028 ( 0.000 2.352 0.211) 2.362 6.289 ( 0.000 5.810 -0.809) 5.866 6.378 ( -0.000 0.346 -0.303) 0.460 6.704 ( -0.000 -5.003 -1.166) 5.137 7.219 ( 0.000 -1.336 1.047) 1.697 8.355 ( -0.000 0.433 -0.981) 1.072======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 4.550 0.495 0.257) 4.584 1.843 ( 1.379 3.520 3.076) 4.873 2.126 ( -0.485 1.033 1.494) 1.880 2.450 ( 6.814 0.882 -0.478) 6.887 2.494 ( 0.365 -4.180 -0.635) 4.244 3.913 ( -1.793 -0.381 -1.849) 2.604 6.089 ( 4.712 0.755 0.399) 4.789 6.309 ( -2.547 2.255 0.715) 3.476 6.405 ( 1.956 1.360 0.698) 2.483 6.680 ( 3.237 -2.811 -3.283) 5.400 7.220 ( -0.028 0.576 1.577) 1.680 8.325 ( -3.650 0.318 -0.845) 3.760======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 6.394 -0.988 -0.538) 6.492 1.897 ( 0.326 2.178 2.052) 3.010 2.123 ( -1.064 -0.187 2.394) 2.627 2.440 ( -0.915 -2.361 -2.519) 3.572 2.641 ( 14.030 -1.320 0.787) 14.114 3.845 ( -3.533 -2.962 -1.574) 4.871 6.168 ( 4.316 -2.117 -0.453) 4.829 6.269 ( -1.899 -1.951 0.107) 2.725 6.455 ( 1.116 2.640 2.910) 4.084 6.764 ( 8.823 0.989 -2.902) 9.341 7.232 ( -0.435 1.370 1.422) 2.022 8.239 ( -6.353 0.379 -0.503) 6.384======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 5.948 -3.735 -1.413) 7.164 1.908 ( -0.526 0.621 0.354) 0.887 2.097 ( -1.789 -1.001 2.135) 2.960 2.407 ( 0.074 -1.397 -2.277) 2.673 2.868 ( 14.322 -4.202 0.783) 14.946 3.742 ( -4.248 -2.892 -0.639) 5.179 6.173 ( 0.719 -4.183 -0.938) 4.346 6.230 ( 1.122 -4.349 -0.198) 4.496 6.512 ( 0.316 4.306 3.519) 5.570 6.950 ( 11.089 1.269 -1.565) 11.271 7.227 ( -1.958 0.592 0.604) 2.133 8.131 ( -6.651 1.347 0.167) 6.788======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 0.000 0.466 1.107) 1.201 1.889 ( 0.000 5.004 4.618) 6.810 2.143 ( 0.000 0.417 3.339) 3.365 2.369 ( -0.000 -2.712 -0.287) 2.727 2.461 ( -0.000 -2.695 -3.290) 4.253 3.898 ( -0.000 -4.306 -2.364) 4.912 6.048 ( 0.000 -1.004 1.154) 1.530 6.360 ( -0.000 -1.575 -1.207) 1.984 6.380 ( 0.000 0.195 3.891) 3.896 6.634 ( -0.000 2.185 -4.665) 5.151 7.240 ( 0.000 2.291 1.774) 2.898 8.355 ( -0.000 0.164 -1.017) 1.030======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 3.264 -0.575 0.583) 3.365 1.934 ( -0.817 2.588 2.321) 3.571 2.146 ( -1.223 -0.626 4.836) 5.028 2.390 ( 3.777 -5.625 -1.503) 6.940 2.453 ( 5.072 0.834 -1.969) 5.504 3.824 ( -0.889 -7.607 -2.218) 7.973 6.065 ( 3.723 -3.837 0.578) 5.378 6.289 ( -3.364 -3.254 -0.274) 4.688 6.422 ( 4.081 -1.967 1.706) 4.841 6.699 ( 2.867 7.214 -1.569) 7.920 7.268 ( -0.591 3.331 1.301) 3.624 8.324 ( -3.470 0.233 -1.016) 3.623======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 4.179 -3.104 -0.933) 5.289 1.926 ( -1.129 -0.479 -0.158) 1.237 2.118 ( -1.655 -2.329 4.111) 5.006 2.367 ( 1.402 -3.835 -3.390) 5.307 2.621 ( 11.515 -0.424 1.493) 11.619 3.721 ( -0.632 -8.962 -1.376) 9.089 6.076 ( 3.609 -6.919 -0.700) 7.835 6.201 ( -2.384 -3.871 -0.437) 4.567 6.495 ( 5.064 -0.667 2.077) 5.514 6.847 ( 5.556 7.840 1.004) 9.661 7.282 ( -2.141 3.150 0.202) 3.814 8.246 ( -5.614 0.785 -0.591) 5.700======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 0.000 -0.725 0.744) 1.039 1.958 ( -0.000 -0.995 -0.351) 1.054 2.178 ( 0.000 -0.955 6.244) 6.317 2.270 ( -0.000 -7.162 -0.161) 7.164 2.431 ( -0.000 3.442 -2.426) 4.210 3.725 ( -0.000 -12.049 -2.279) 12.262 5.988 ( -0.000 -5.936 0.607) 5.967 6.315 ( -0.000 -5.535 -0.552) 5.562 6.323 ( -0.000 -1.080 -0.682) 1.277 6.765 ( 0.000 9.667 2.307) 9.939 7.318 ( 0.000 4.855 0.622) 4.895 8.353 ( -0.000 0.478 -1.469) 1.544======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 1.448 -2.568 -0.665) 3.022 1.917 ( -0.554 -4.517 -2.299) 5.098 2.131 ( -2.078 -4.312 3.659) 6.024 2.248 ( 4.157 -7.813 -2.018) 9.078 2.523 ( 4.298 6.610 2.637) 8.314 3.593 ( 1.027 -14.942 -1.618) 15.065 5.942 ( 2.584 -8.514 -0.358) 8.905 6.215 ( -3.317 -3.286 -1.217) 4.825 6.383 ( 5.771 -1.499 -0.086) 5.964 6.887 ( 1.910 9.456 4.958) 10.847 7.357 ( -1.644 5.476 -0.649) 5.754 8.328 ( -3.206 1.027 -1.506) 3.688======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( -0.000 -3.138 -1.492) 3.474 1.842 ( -0.000 -9.006 -4.868) 10.237 2.100 ( -0.000 -9.978 0.865) 10.015 2.123 ( -0.000 -5.382 -0.309) 5.391 2.585 ( 0.000 9.325 4.755) 10.468 3.407 ( -0.000 -19.550 -1.000) 19.576 5.831 ( -0.000 -9.657 -0.472) 9.669 6.218 ( -0.000 -2.822 -2.551) 3.804 6.318 ( 0.000 0.499 0.360) 0.615 6.975 ( 0.000 8.056 7.561) 11.049 7.432 ( -0.000 7.153 -1.839) 7.386 8.363 ( -0.000 1.647 -2.190) 2.740======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.519 ( 0.000 0.000 19.971) 19.971 0.519 ( 0.000 0.000 19.971) 19.971 1.039 ( 0.000 0.000 39.912) 39.912 1.602 ( -0.000 -0.000 -5.229) 5.229 1.602 ( -0.000 -0.000 -5.229) 5.229 3.444 ( -0.000 -0.000 -14.499) 14.499 5.209 ( 0.000 0.000 1.415) 1.415 5.209 ( 0.000 0.000 1.415) 1.415 6.469 ( -0.000 -0.000 -0.796) 0.796 6.469 ( -0.000 -0.000 -0.796) 0.796 8.432 ( 0.000 0.000 1.977) 1.977 8.638 ( -0.000 -0.000 -0.755) 0.755======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( 4.627 2.671 16.185) 17.043 0.759 ( 6.338 3.659 21.232) 22.458 1.354 ( 17.822 10.290 28.656) 35.280 1.633 ( 5.216 3.012 -7.272) 9.442 1.634 ( 2.740 1.582 -4.455) 5.464 3.121 ( -11.707 -6.759 -5.656) 14.654 5.241 ( 2.405 1.388 1.404) 3.112 5.992 ( 41.352 23.875 -26.549) 54.633 6.437 ( -2.276 -1.314 -1.262) 2.916 6.453 ( -1.169 -0.675 -0.805) 1.572 8.378 ( -7.091 -4.094 3.647) 8.963 8.525 ( -5.909 -3.411 1.088) 6.909======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( 10.113 5.839 9.184) 14.857 0.935 ( 5.178 2.990 17.892) 18.864 1.703 ( 4.414 2.548 -3.362) 6.106 1.725 ( 7.143 4.124 -0.568) 8.268 1.930 ( 22.879 13.209 8.728) 27.823 2.955 ( -2.377 -1.373 -6.644) 7.189 5.324 ( 4.661 2.691 1.194) 5.513 6.318 ( -4.509 -2.603 -1.950) 5.560 6.416 ( -1.762 -1.017 -0.754) 2.170 6.662 ( 22.543 13.015 -19.166) 32.325 8.146 ( -12.903 -7.449 5.790) 15.984 8.432 ( -3.603 -2.080 -1.345) 4.373======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( 10.106 5.835 4.338) 12.450 1.113 ( 7.425 4.287 9.555) 12.838 1.816 ( 6.367 3.676 -1.976) 7.613 1.859 ( 5.483 3.166 -3.472) 7.221 2.430 ( 17.933 10.354 2.916) 20.912 2.974 ( 5.731 3.309 -2.030) 6.922 5.455 ( 6.672 3.852 0.872) 7.753 6.190 ( -5.684 -3.282 -1.469) 6.726 6.376 ( -1.517 -0.876 -0.625) 1.860 7.008 ( 12.459 7.193 -12.009) 18.740 7.861 ( -13.596 -7.849 5.137) 16.518 8.342 ( -3.688 -2.129 -1.782) 4.617======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( 7.695 4.443 1.237) 8.972 1.323 ( 9.424 5.441 3.313) 11.375 1.950 ( 3.578 2.066 -3.206) 5.230 1.974 ( 7.807 4.508 -0.689) 9.041 2.693 ( 5.877 3.393 -1.623) 6.978 3.212 ( 13.760 7.944 2.755) 16.126 5.623 ( 7.865 4.541 0.483) 9.095 6.078 ( -3.409 -1.968 -1.307) 4.148 6.349 ( -0.664 -0.383 -0.372) 0.852 7.162 ( 3.882 2.241 -10.010) 10.968 7.574 ( -12.694 -7.329 5.199) 15.552 8.274 ( -1.721 -0.994 -0.644) 2.089======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 5.141 2.968 -0.406) 5.950 1.544 ( 9.533 5.504 -0.415) 11.016 2.012 ( 2.822 1.629 -2.247) 3.959 2.149 ( 7.432 4.291 0.021) 8.582 2.738 ( -1.014 -0.586 -0.434) 1.249 3.520 ( 11.982 6.918 2.360) 14.035 5.801 ( 7.594 4.384 -0.031) 8.769 6.047 ( 1.149 0.663 -0.958) 1.637 6.344 ( 0.199 0.115 0.084) 0.245 7.108 ( -6.660 -3.845 -7.973) 11.078 7.364 ( -6.220 -3.591 3.839) 8.144 8.265 ( 0.681 0.393 0.761) 1.094======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 3.192 1.843 -1.036) 3.829 1.736 ( 7.819 4.514 -3.303) 9.613 2.073 ( 3.171 1.831 -1.363) 3.907 2.294 ( 5.124 2.959 0.251) 5.923 2.662 ( -5.395 -3.115 0.652) 6.263 3.746 ( 7.324 4.228 2.291) 8.761 5.952 ( 5.751 3.320 -0.678) 6.675 6.127 ( 6.043 3.489 -0.742) 7.017 6.354 ( 0.360 0.208 0.726) 0.837 6.882 ( -10.585 -6.111 -2.020) 12.388 7.286 ( -2.057 -1.188 -0.361) 2.403 8.294 ( 1.347 0.778 1.305) 2.030======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 1.654 0.955 -1.109) 2.209 1.872 ( 5.260 3.037 -4.479) 7.547 2.149 ( 3.996 2.307 -2.528) 5.261 2.372 ( 1.625 0.938 0.273) 1.897 2.522 ( -6.776 -3.912 2.053) 8.090 3.860 ( 2.182 1.260 2.665) 3.667 6.048 ( 2.840 1.640 -1.172) 3.483 6.302 ( 9.378 5.414 -1.556) 10.940 6.357 ( -0.472 -0.272 1.243) 1.357 6.653 ( -9.454 -5.458 2.071) 11.111 7.257 ( -0.259 -0.150 -1.474) 1.504 8.322 ( 0.694 0.400 1.334) 1.556======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( 0.306 0.177 -0.805) 0.880 1.949 ( 2.293 1.324 -2.216) 3.452 2.227 ( 3.213 1.855 -6.072) 7.115 2.365 ( -2.326 -1.343 0.172) 2.692 2.399 ( -3.837 -2.215 3.856) 5.874 3.854 ( -3.556 -2.053 2.602) 4.861 6.067 ( -1.031 -0.595 -0.996) 1.552 6.339 ( -1.201 -0.693 1.098) 1.768 6.429 ( -4.544 -2.623 -0.644) 5.286 6.568 ( 7.811 4.510 1.846) 9.206 7.267 ( 1.536 0.887 -1.314) 2.207 8.333 ( 0.011 0.007 1.509) 1.509======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( -1.022 -0.590 -0.060) 1.181 1.950 ( -2.454 -1.417 1.509) 3.211 2.209 ( -3.079 -1.778 -0.675) 3.619 2.270 ( -6.045 -3.490 -0.115) 6.982 2.432 ( 5.807 3.353 -2.989) 7.341 3.708 ( -10.112 -5.838 1.844) 11.821 5.991 ( -5.521 -3.187 -0.138) 6.376 6.300 ( -5.416 -3.127 2.822) 6.861 6.319 ( -0.560 -0.323 0.257) 0.696 6.792 ( 10.246 5.916 -3.812) 12.430 7.321 ( 3.536 2.041 -0.145) 4.085 8.339 ( 0.262 0.152 1.986) 2.009======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( 0.000 13.348 14.312) 19.571 0.844 ( 0.000 13.454 16.354) 21.177 1.380 ( 0.000 11.229 32.531) 34.415 1.546 ( -0.000 -0.421 -7.660) 7.671 1.687 ( -0.000 9.881 -5.064) 11.103 3.102 ( -0.000 -13.498 -7.882) 15.631 5.242 ( 0.000 2.729 1.396) 3.065 5.908 ( -0.000 44.306 -21.832) 49.393 6.438 ( -0.000 -2.220 -1.374) 2.611 6.449 ( -0.000 -1.482 -0.811) 1.689 8.384 ( 0.000 -7.970 3.319) 8.634 8.540 ( -0.000 -5.337 0.308) 5.346======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( -1.142 17.162 9.305) 19.556 1.016 ( -0.346 9.827 18.678) 21.109 1.577 ( 6.013 0.356 -7.799) 9.854 1.688 ( 9.032 8.290 12.338) 17.393 1.839 ( 7.697 17.895 3.133) 19.730 2.946 ( -2.336 -5.444 -8.356) 10.243 5.301 ( 2.454 4.151 1.296) 4.993 6.321 ( 3.508 5.315 -6.386) 9.019 6.425 ( -0.649 -1.506 -0.764) 1.809 6.453 ( 10.722 16.106 -14.421) 24.131 8.237 ( -6.650 -11.790 4.812) 14.365 8.469 ( -3.269 -2.191 -1.257) 4.131======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 1.487 15.716 6.392) 17.031 1.144 ( 0.688 8.445 13.365) 15.825 1.697 ( 8.349 2.181 -4.839) 9.893 1.845 ( 3.007 7.135 -1.999) 7.997 2.275 ( 16.065 15.972 5.709) 23.362 2.907 ( 3.443 0.791 -5.130) 6.229 5.411 ( 4.475 5.673 1.123) 7.313 6.238 ( -4.781 -4.344 -1.173) 6.565 6.393 ( -1.262 -0.756 -0.851) 1.700 6.826 ( 14.303 11.491 -12.734) 22.333 7.991 ( -10.301 -10.845 4.668) 15.669 8.379 ( -4.023 -2.410 -1.961) 5.083======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( 2.039 10.476 6.294) 12.390 1.304 ( 4.242 10.482 4.089) 12.024 1.852 ( 7.402 2.822 -2.481) 8.301 1.954 ( 3.328 7.056 -2.429) 8.171 2.611 ( 8.681 6.960 -1.372) 11.211 3.076 ( 11.896 7.842 1.268) 14.305 5.565 ( 5.952 6.950 0.914) 9.196 6.115 ( -4.297 -3.364 -0.953) 5.539 6.368 ( -1.187 0.605 -0.820) 1.564 7.058 ( 8.066 3.785 -9.364) 12.925 7.718 ( -11.639 -9.139 4.287) 15.407 8.289 ( -2.718 -2.529 -1.198) 3.901======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 2.281 7.490 3.192) 8.455 1.496 ( 5.500 10.054 1.065) 11.509 1.958 ( 4.138 1.021 -2.324) 4.854 2.106 ( 5.450 8.620 -0.571) 10.214 2.728 ( 2.107 1.199 -1.590) 2.899 3.388 ( 12.918 8.451 1.921) 15.556 5.743 ( 6.243 7.474 0.628) 9.759 6.043 ( -1.048 -0.930 -0.466) 1.476 6.362 ( -0.801 1.958 -0.646) 2.212 7.115 ( -0.069 -1.185 -8.871) 8.950 7.466 ( -9.725 -6.503 4.411) 12.503 8.245 ( 0.419 -2.114 0.338) 2.181======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 1.271 5.873 0.818) 6.064 1.679 ( 5.267 7.952 -0.889) 9.579 2.025 ( 3.727 0.898 -1.524) 4.125 2.272 ( 4.155 8.003 0.230) 9.020 2.713 ( -3.138 -1.454 -0.688) 3.526 3.653 ( 9.565 5.207 1.720) 11.025 5.912 ( 4.967 6.891 0.199) 8.496 6.069 ( 3.659 1.959 -0.009) 4.151 6.373 ( -0.606 2.634 -0.272) 2.717 6.988 ( -8.380 -4.073 -4.804) 10.483 7.316 ( -3.878 -2.862 1.439) 5.030 8.256 ( 2.591 -2.005 1.222) 3.496======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 0.063 4.689 -0.228) 4.695 1.815 ( 4.125 4.918 -3.177) 7.162 2.097 ( 3.883 1.484 -1.310) 4.358 2.390 ( 1.207 6.257 0.583) 6.399 2.608 ( -6.485 -1.990 0.035) 6.783 3.818 ( 5.310 1.665 2.245) 6.001 6.038 ( 2.549 5.586 -0.305) 6.148 6.194 ( 7.361 3.320 -0.191) 8.078 6.386 ( -0.808 2.646 0.080) 2.767 6.781 ( -10.069 -3.274 0.082) 10.589 7.260 ( -1.130 -0.928 -1.080) 1.818 8.287 ( 2.765 -2.340 1.299) 3.848======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( -1.078 3.527 -0.543) 3.728 1.902 ( 3.402 2.074 -3.386) 5.229 2.166 ( 3.190 0.951 -3.346) 4.719 2.432 ( -1.760 2.061 1.816) 3.262 2.484 ( -7.177 1.970 0.482) 7.458 3.873 ( 0.233 -1.494 2.588) 2.998 6.098 ( -0.907 3.758 -0.590) 3.911 6.315 ( 2.759 -1.794 0.166) 3.295 6.430 ( 3.295 5.037 -2.330) 6.454 6.614 ( -7.095 0.766 4.094) 8.227 7.249 ( 0.672 0.195 -1.626) 1.770 8.306 ( 2.052 -2.735 1.250) 3.640======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( -2.059 2.067 -0.323) 2.935 1.948 ( 1.378 -0.498 -0.884) 1.711 2.187 ( 0.793 -1.920 -4.642) 5.086 2.370 ( -5.266 -1.366 3.019) 6.221 2.449 ( -3.079 7.562 -0.902) 8.215 3.805 ( -6.079 -4.268 2.243) 7.759 6.069 ( -5.155 0.747 -0.258) 5.215 6.283 ( -1.345 -4.577 0.968) 4.868 6.431 ( -5.272 2.554 -0.209) 5.862 6.694 ( 7.451 7.352 -0.353) 10.473 7.278 ( 2.772 0.825 -1.027) 3.069 8.314 ( 1.776 -2.768 1.426) 3.585======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 0.000 16.842 7.740) 18.536 1.192 ( 0.000 13.097 12.641) 18.203 1.507 ( -0.000 1.977 -9.503) 9.707 1.730 ( 0.000 9.089 12.489) 15.446 1.973 ( 0.000 20.660 3.604) 20.972 2.883 ( -0.000 -4.933 -8.657) 9.964 5.331 ( 0.000 5.638 1.137) 5.752 6.326 ( -0.000 -0.815 -1.443) 1.657 6.406 ( -0.000 -2.296 -0.682) 2.395 6.498 ( -0.000 20.897 -14.940) 25.688 8.176 ( 0.000 -13.840 4.107) 14.437 8.472 ( -0.000 -2.260 -2.131) 3.106======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( -1.208 16.834 3.211) 17.180 1.302 ( -3.251 8.814 11.237) 14.646 1.584 ( 6.774 5.852 -5.763) 10.646 1.861 ( 2.735 6.629 0.956) 7.234 2.263 ( 7.695 20.058 4.606) 21.971 2.848 ( 2.191 0.494 -5.049) 5.526 5.418 ( 2.528 7.069 1.011) 7.575 6.260 ( -3.252 -4.486 -0.981) 5.627 6.388 ( 0.310 -1.668 -0.824) 1.886 6.723 ( 8.119 14.046 -10.236) 19.183 8.010 ( -4.643 -13.366 3.573) 14.593 8.414 ( -3.210 -2.263 -2.740) 4.790======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( -1.811 7.885 8.447) 11.697 1.385 ( 0.726 14.722 -0.742) 14.759 1.766 ( 6.936 6.601 -0.683) 9.599 1.963 ( 3.070 6.464 -3.066) 7.785 2.552 ( 6.951 9.706 -1.504) 12.032 2.983 ( 8.949 9.416 1.569) 13.084 5.557 ( 4.485 8.471 1.004) 9.638 6.149 ( -4.153 -3.778 -1.061) 5.713 6.380 ( 0.160 0.073 -1.166) 1.179 6.937 ( 8.134 5.336 -6.627) 11.771 7.793 ( -7.523 -11.437 3.061) 14.027 8.317 ( -4.161 -2.568 -2.379) 5.438======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -0.085 7.881 6.370) 10.134 1.542 ( 2.470 12.662 -1.619) 13.002 1.897 ( 3.759 2.179 -0.972) 4.452 2.109 ( 5.311 10.052 -1.294) 11.442 2.690 ( 3.806 2.810 -2.069) 5.164 3.278 ( 11.304 10.948 1.959) 15.858 5.732 ( 5.365 9.307 1.009) 10.790 6.060 ( -2.534 -1.614 -0.598) 3.063 6.389 ( 0.044 2.008 -1.401) 2.448 7.051 ( 4.097 0.207 -5.888) 7.176 7.563 ( -8.641 -8.722 2.963) 12.630 8.229 ( -2.079 -2.971 -1.027) 3.769======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -0.352 7.651 3.548) 8.441 1.700 ( 2.926 10.248 -0.417) 10.666 1.961 ( 3.664 0.356 -1.502) 3.976 2.295 ( 4.311 10.147 0.389) 11.032 2.735 ( -0.091 0.951 -1.377) 1.676 3.548 ( 9.566 6.660 1.002) 11.699 5.911 ( 4.676 8.800 0.951) 10.011 6.044 ( 1.207 1.304 0.116) 1.781 6.410 ( -0.252 3.120 -1.453) 3.451 7.042 ( -2.645 -1.491 -5.222) 6.040 7.370 ( -6.264 -5.290 2.469) 8.562 8.191 ( 1.426 -3.631 0.344) 3.916======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( -1.279 7.069 1.674) 7.376 1.818 ( 1.451 6.290 -1.071) 6.543 2.035 ( 4.628 1.050 -1.017) 4.853 2.432 ( 1.771 6.138 1.075) 6.478 2.707 ( -4.564 3.395 -1.460) 5.872 3.732 ( 7.054 1.804 1.283) 7.393 6.054 ( 3.099 6.672 0.897) 7.411 6.125 ( 4.697 3.727 0.378) 6.008 6.427 ( -0.739 2.775 -1.398) 3.194 6.921 ( -8.421 -0.219 -1.516) 8.559 7.272 ( -2.105 -2.007 -0.040) 2.909 8.199 ( 3.585 -4.435 0.878) 5.770======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( -2.489 6.191 0.769) 6.717 1.876 ( 1.301 2.684 -2.030) 3.608 2.114 ( 3.438 0.898 -1.643) 3.915 2.464 ( -1.209 -1.060 1.724) 2.358 2.669 ( -6.949 10.273 -1.262) 12.466 3.828 ( 3.840 -1.932 1.878) 4.691 6.150 ( 0.527 5.322 0.714) 5.396 6.241 ( 4.842 1.387 0.122) 5.038 6.436 ( 0.150 2.123 -1.800) 2.788 6.784 ( -8.969 3.870 1.866) 9.945 7.241 ( -0.294 -0.231 -1.453) 1.500 8.220 ( 3.857 -5.005 0.863) 6.378======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -3.768 4.633 0.460) 5.989 1.912 ( 1.741 0.492 -1.584) 2.405 2.146 ( 1.161 -1.108 -2.982) 3.387 2.418 ( -2.303 -1.928 2.760) 4.079 2.649 ( -8.169 11.610 -1.133) 14.241 3.830 ( -0.893 -4.158 1.864) 4.644 6.164 ( -3.657 2.218 0.658) 4.327 6.268 ( -0.900 -2.750 0.328) 2.912 6.482 ( 2.078 2.612 -3.220) 4.638 6.739 ( -3.494 8.920 2.905) 10.010 7.244 ( 1.257 0.079 -1.436) 1.910 8.234 ( 3.427 -5.058 0.778) 6.158======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 0.000 2.557 -0.143) 2.561 1.412 ( 0.000 15.206 2.340) 15.385 1.607 ( 0.000 12.973 -0.380) 12.978 1.896 ( 0.000 4.877 -0.408) 4.894 2.404 ( 0.000 17.676 1.423) 17.734 2.843 ( 0.000 5.965 -0.276) 5.971 5.472 ( 0.000 8.164 0.599) 8.186 6.245 ( -0.000 -4.241 -1.711) 4.573 6.359 ( -0.000 -2.080 -0.344) 2.108 6.761 ( -0.000 10.995 -6.100) 12.574 7.921 ( -0.000 -13.911 2.494) 14.133 8.414 ( -0.000 -2.032 -3.353) 3.921======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 1.031 2.774 -1.479) 3.309 1.542 ( -1.332 13.749 -1.161) 13.863 1.774 ( 3.085 11.683 2.962) 12.441 1.950 ( 3.018 3.805 -4.439) 6.579 2.558 ( 2.635 8.103 -1.325) 8.623 2.993 ( 4.471 14.985 4.392) 16.243 5.582 ( 2.850 9.125 0.427) 9.569 6.172 ( -2.971 -3.302 -2.107) 4.917 6.357 ( 1.528 -0.932 -0.697) 1.921 6.869 ( 4.181 5.019 -2.717) 7.075 7.768 ( -3.046 -12.853 1.672) 13.314 8.356 ( -3.368 -1.780 -3.266) 5.017======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 3.245 4.152 1.582) 5.502 1.644 ( -0.336 12.334 -3.864) 12.929 1.885 ( 0.896 3.329 1.029) 3.598 2.098 ( 7.083 9.984 -1.940) 12.394 2.653 ( 3.124 2.772 -0.510) 4.207 3.256 ( 6.632 15.018 2.975) 16.685 5.742 ( 4.786 9.791 0.526) 10.911 6.090 ( -2.950 -1.318 -1.701) 3.651 6.383 ( 1.840 0.924 -1.370) 2.473 6.966 ( 4.610 0.309 -1.499) 4.857 7.589 ( -4.818 -10.655 1.295) 11.765 8.260 ( -4.607 -1.806 -2.402) 5.501======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 2.478 5.433 3.154) 6.753 1.761 ( 1.977 10.818 -2.959) 11.389 1.916 ( 1.240 0.322 -0.374) 1.335 2.312 ( 5.656 9.964 0.307) 11.462 2.723 ( 2.884 1.807 -0.273) 3.414 3.492 ( 5.974 9.641 0.918) 11.379 5.923 ( 4.864 9.305 0.687) 10.522 6.053 ( -0.683 1.418 -0.755) 1.746 6.422 ( 1.318 2.053 -1.804) 3.034 7.019 ( 2.581 -0.812 -1.747) 3.221 7.416 ( -5.226 -7.567 1.336) 9.293 8.167 ( -2.858 -2.591 -1.107) 4.014======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( 0.230 6.452 2.085) 6.784 1.872 ( -0.272 6.698 -0.191) 6.706 1.960 ( 4.801 0.830 -1.136) 5.003 2.451 ( 1.979 3.937 0.966) 4.511 2.796 ( 0.977 7.241 -0.911) 7.363 3.646 ( 5.007 2.887 0.362) 5.791 6.064 ( 2.737 5.403 0.767) 6.105 6.108 ( 3.208 5.535 0.237) 6.402 6.448 ( 0.157 1.294 -1.903) 2.306 7.025 ( -2.224 2.039 -1.317) 3.292 7.288 ( -3.038 -3.953 0.773) 5.045 8.113 ( 0.595 -4.256 -0.052) 4.298======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -1.773 6.832 1.435) 7.202 1.894 ( -0.760 1.964 -0.587) 2.186 2.057 ( 4.132 1.369 -0.789) 4.424 2.468 ( -0.636 -1.607 0.826) 1.916 2.881 ( -3.460 13.652 -1.056) 14.123 3.729 ( 4.811 -2.935 0.874) 5.703 6.170 ( 3.665 5.010 0.965) 6.282 6.204 ( 1.966 3.322 0.558) 3.900 6.441 ( -0.420 -0.517 -1.967) 2.077 6.983 ( -6.966 6.540 0.789) 9.588 7.241 ( -0.434 -0.813 -0.935) 1.313 8.100 ( 3.427 -5.854 0.360) 6.793======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( -4.131 6.067 1.186) 7.435 1.898 ( 0.218 0.544 -0.722) 0.930 2.104 ( 1.880 -1.282 -1.405) 2.674 2.434 ( -1.212 -1.771 1.303) 2.511 2.916 ( -8.344 14.093 -0.936) 16.405 3.761 ( 3.697 -5.684 1.106) 6.870 6.224 ( -1.565 0.620 1.156) 2.042 6.264 ( 0.926 1.925 0.434) 2.180 6.440 ( 2.610 0.123 -2.606) 3.690 6.945 ( -7.305 10.218 1.955) 12.712 7.230 ( -0.112 -0.305 -1.448) 1.484 8.110 ( 4.532 -6.189 0.249) 7.675======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( -0.000 1.685 -4.349) 4.663 1.674 ( -0.000 11.650 -4.147) 12.366 1.882 ( 0.000 13.040 2.364) 13.252 1.923 ( -0.000 0.476 -4.975) 4.998 2.599 ( 0.000 4.400 1.112) 4.539 3.142 ( 0.000 19.011 5.187) 19.706 5.646 ( 0.000 9.297 -0.190) 9.299 6.164 ( -0.000 -2.162 -3.755) 4.333 6.328 ( 0.000 -0.853 0.228) 0.883 6.871 ( 0.000 2.431 0.619) 2.508 7.669 ( -0.000 -12.656 0.495) 12.666 8.363 ( -0.000 -1.045 -3.408) 3.565======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( 3.749 2.417 -2.570) 5.148 1.744 ( -0.631 8.559 -7.960) 11.705 1.913 ( -0.381 2.104 -0.066) 2.139 2.072 ( 6.491 10.822 -0.014) 12.619 2.642 ( 1.026 1.394 2.779) 3.274 3.357 ( 2.025 17.528 3.345) 17.959 5.765 ( 3.367 9.279 -0.358) 9.877 6.119 ( -2.104 -0.298 -3.701) 4.267 6.347 ( 2.290 0.304 -0.235) 2.322 6.905 ( 2.322 -0.754 2.200) 3.286 7.536 ( -1.766 -11.136 -0.169) 11.276 8.315 ( -3.583 -0.506 -2.892) 4.632======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 6.125 3.190 0.206) 6.909 1.802 ( 2.082 6.027 -6.769) 9.300 1.931 ( -0.919 3.017 1.117) 3.345 2.296 ( 7.360 9.550 0.014) 12.058 2.681 ( 2.682 -0.357 2.508) 3.689 3.545 ( 1.532 12.679 1.149) 12.823 5.928 ( 5.081 8.790 -0.229) 10.156 6.085 ( -1.466 2.168 -2.528) 3.638 6.398 ( 2.661 1.147 -0.932) 3.044 6.946 ( 3.751 -2.352 2.028) 4.870 7.401 ( -2.495 -8.553 -0.170) 8.911 8.225 ( -5.480 -0.423 -1.992) 5.846======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 4.959 3.788 0.702) 6.280 1.890 ( 4.199 1.587 -2.153) 4.979 1.949 ( -1.417 5.625 0.120) 5.802 2.454 ( 2.258 3.653 0.626) 4.340 2.780 ( 7.360 4.123 0.854) 8.480 3.650 ( -0.220 6.236 -0.086) 6.241 6.075 ( 2.642 5.696 -0.427) 6.294 6.116 ( 2.157 5.625 -0.706) 6.066 6.439 ( 1.210 0.359 -0.988) 1.603 7.007 ( 4.845 -0.480 0.805) 4.935 7.292 ( -2.311 -5.153 0.267) 5.654 8.122 ( -4.957 -1.353 -1.021) 5.239======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 2.450 4.850 0.395) 5.448 1.916 ( -0.089 -0.340 0.065) 0.358 2.017 ( 2.133 3.607 -0.337) 4.205 2.466 ( -0.819 -1.407 0.374) 1.670 2.987 ( 6.622 10.966 -0.030) 12.810 3.663 ( -0.863 -1.093 -0.083) 1.395 6.163 ( 2.754 5.191 0.112) 5.877 6.211 ( 2.062 4.017 0.024) 4.516 6.434 ( -0.641 -1.674 -0.765) 1.949 7.093 ( 2.223 4.166 0.143) 4.724 7.232 ( -0.656 -1.785 0.147) 1.908 8.034 ( -2.168 -3.441 -0.243) 4.074======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( -0.669 5.090 0.709) 5.183 1.909 ( -1.007 0.896 -0.100) 1.351 2.052 ( 1.506 -2.000 -0.453) 2.544 2.436 ( -0.725 -1.445 0.303) 1.645 3.163 ( -2.259 14.861 -0.442) 15.038 3.626 ( 2.847 -7.933 0.410) 8.438 6.241 ( 0.426 0.982 0.432) 1.154 6.278 ( 1.996 4.985 0.713) 5.417 6.395 ( 0.010 -2.868 -1.406) 3.195 7.140 ( -3.248 7.246 1.347) 8.054 7.228 ( 0.059 0.000 -1.233) 1.235 7.990 ( 1.999 -4.936 0.005) 5.325======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( -0.000 2.185 -3.001) 3.712 1.771 ( -0.000 2.843 -11.887) 12.222 1.949 ( 0.000 4.425 1.485) 4.668 2.121 ( 0.000 10.274 1.347) 10.362 2.650 ( 0.000 -0.621 4.393) 4.437 3.519 ( 0.000 16.384 2.288) 16.543 5.818 ( 0.000 8.243 -0.815) 8.284 6.129 ( -0.000 1.341 -5.002) 5.179 6.331 ( 0.000 0.792 0.703) 1.059 6.880 ( 0.000 -2.520 3.919) 4.659 7.443 ( -0.000 -10.011 -0.952) 10.056 8.339 ( -0.000 0.235 -2.657) 2.667======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 4.984 2.379 -1.302) 5.674 1.776 ( 2.058 1.686 -7.900) 8.336 1.993 ( -0.814 4.955 1.006) 5.121 2.268 ( 5.702 8.455 0.398) 10.206 2.650 ( 0.560 -2.627 4.041) 4.853 3.667 ( -0.276 12.690 0.663) 12.710 5.926 ( 3.959 7.314 -0.768) 8.352 6.126 ( -1.165 3.443 -4.021) 5.420 6.364 ( 2.176 1.207 0.227) 2.499 6.873 ( 1.850 -4.218 3.582) 5.834 7.346 ( -0.805 -7.629 -0.822) 7.715 8.304 ( -3.742 0.625 -2.065) 4.320======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 7.162 2.154 -0.463) 7.493 1.830 ( 3.786 1.416 -2.549) 4.778 2.024 ( -1.232 4.822 0.262) 4.984 2.442 ( 4.620 4.994 -0.108) 6.804 2.671 ( 5.865 -1.788 2.581) 6.652 3.748 ( -2.262 7.857 -0.534) 8.193 6.070 ( 4.727 6.046 -0.875) 7.724 6.147 ( -0.078 5.240 -2.044) 5.625 6.413 ( 2.073 0.531 0.110) 2.143 6.892 ( 5.153 -4.449 1.795) 7.041 7.271 ( -0.856 -4.413 0.012) 4.495 8.219 ( -6.271 0.614 -1.355) 6.445======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 6.696 1.933 -0.885) 7.026 1.890 ( 2.215 -0.004 0.256) 2.230 2.052 ( -0.801 3.964 0.283) 4.054 2.472 ( -1.181 -1.152 -0.043) 1.650 2.872 ( 13.930 3.880 0.945) 14.491 3.736 ( -5.244 2.927 -0.821) 6.061 6.178 ( 2.161 5.645 -0.804) 6.097 6.210 ( 1.909 3.426 -0.801) 4.003 6.429 ( -0.244 -0.980 0.863) 1.328 6.987 ( 9.451 -1.917 -0.304) 9.649 7.233 ( -0.507 -1.284 0.904) 1.650 8.104 ( -7.076 -0.028 -0.631) 7.104======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( -0.000 2.167 -0.941) 2.362 1.752 ( -0.000 1.731 -4.804) 5.107 2.049 ( 0.000 4.321 0.610) 4.364 2.291 ( 0.000 6.487 0.439) 6.502 2.624 ( 0.000 -4.140 3.402) 5.358 3.784 ( 0.000 10.048 -0.429) 10.057 5.950 ( 0.000 5.637 -0.497) 5.659 6.167 ( -0.000 5.179 -3.760) 6.400 6.359 ( 0.000 1.398 0.353) 1.442 6.818 ( 0.000 -5.820 2.653) 6.396 7.285 ( -0.000 -5.435 -0.320) 5.444 8.338 ( -0.000 0.864 -1.779) 1.978======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 5.008 1.714 -0.332) 5.304 1.789 ( 2.432 2.670 -0.458) 3.640 2.082 ( -0.649 3.550 0.540) 3.649 2.396 ( 5.542 4.586 -0.177) 7.196 2.590 ( 0.842 -5.029 2.066) 5.501 3.850 ( -1.503 6.235 -1.379) 6.560 6.037 ( 4.359 4.438 -0.269) 6.226 6.207 ( -0.950 6.370 -1.826) 6.694 6.387 ( 1.698 0.861 0.028) 1.904 6.778 ( 2.292 -6.544 0.475) 6.950 7.244 ( -0.181 -2.776 0.699) 2.868 8.310 ( -3.715 0.861 -1.367) 4.051======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 7.028 0.716 -0.822) 7.112 1.861 ( 2.297 2.037 1.555) 3.442 2.103 ( -0.877 2.797 1.094) 3.128 2.476 ( -0.466 -1.086 -1.059) 1.587 2.658 ( 12.413 -0.583 1.299) 12.494 3.843 ( -3.903 2.542 -1.626) 4.933 6.157 ( 4.800 3.022 -0.772) 5.725 6.243 ( -1.098 4.529 -0.332) 4.672 6.423 ( 1.155 0.664 1.172) 1.774 6.798 ( 7.695 -4.616 -1.449) 9.090 7.229 ( -0.006 -0.654 1.368) 1.516 8.227 ( -6.498 0.733 -0.863) 6.596======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 0.000 1.587 0.608) 1.699 1.807 ( 0.000 4.392 2.690) 5.150 2.119 ( 0.000 2.601 1.130) 2.836 2.375 ( 0.000 1.996 -0.099) 1.999 2.538 ( -0.000 -5.331 0.061) 5.332 3.903 ( -0.000 2.965 -2.184) 3.682 6.032 ( 0.000 2.752 0.622) 2.821 6.287 ( 0.000 7.840 0.152) 7.841 6.374 ( -0.000 -0.028 -0.724) 0.724 6.690 ( -0.000 -6.991 -2.040) 7.283 7.230 ( 0.000 -0.854 1.527) 1.750 8.346 ( -0.000 0.612 -1.299) 1.436======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 4.072 0.720 0.430) 4.157 1.872 ( 0.789 4.216 3.630) 5.619 2.142 ( -0.558 1.982 2.397) 3.160 2.444 ( 5.053 0.720 -1.021) 5.205 2.489 ( 2.447 -5.406 -0.683) 5.973 3.895 ( -1.620 -0.503 -2.415) 2.951 6.093 ( 4.258 1.000 0.536) 4.406 6.314 ( -2.876 2.196 0.376) 3.638 6.414 ( 2.441 3.112 1.515) 4.235 6.649 ( 3.713 -4.258 -4.004) 6.924 7.234 ( -0.104 0.690 1.774) 1.907 8.316 ( -3.535 0.400 -1.133) 3.734======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 0.000 0.515 1.047) 1.166 1.924 ( 0.000 4.245 3.634) 5.588 2.179 ( 0.000 2.254 5.080) 5.558 2.367 ( -0.000 -2.737 -0.253) 2.749 2.431 ( -0.000 -3.959 -3.742) 5.448 3.877 ( -0.000 -4.279 -2.715) 5.068 6.058 ( 0.000 -0.987 1.183) 1.541 6.349 ( -0.000 -1.584 -1.267) 2.028 6.411 ( 0.000 -1.066 3.197) 3.370 6.596 ( -0.000 4.314 -4.278) 6.076 7.254 ( 0.000 2.079 1.679) 2.673 8.345 ( -0.000 0.133 -1.375) 1.381======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 0.000 0.000 19.180) 19.180 0.685 ( 0.000 0.000 19.180) 19.180 1.369 ( 0.000 0.000 38.350) 38.350 1.550 ( -0.000 -0.000 -7.137) 7.137 1.550 ( -0.000 -0.000 -7.137) 7.137 3.304 ( -0.000 -0.000 -18.569) 18.569 5.221 ( 0.000 0.000 1.481) 1.481 5.221 ( 0.000 0.000 1.481) 1.481 6.462 ( -0.000 -0.000 -0.834) 0.834 6.462 ( -0.000 -0.000 -0.834) 0.834 8.450 ( 0.000 0.000 2.270) 2.270 8.631 ( -0.000 -0.000 -0.995) 0.995======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 2.320 1.339 17.560) 17.763 0.932 ( 7.677 4.433 19.666) 21.572 1.563 ( 4.622 2.669 -9.229) 10.661 1.589 ( 3.339 1.928 -6.287) 7.375 1.601 ( 12.097 6.984 29.594) 32.725 3.047 ( -10.376 -5.990 -11.723) 16.762 5.252 ( 2.348 1.355 1.358) 3.032 5.815 ( 37.284 21.526 -16.039) 45.942 6.427 ( -2.720 -1.570 -1.069) 3.318 6.446 ( -1.157 -0.668 -0.814) 1.564 8.407 ( -5.747 -3.318 3.272) 7.399 8.528 ( -6.320 -3.649 -0.260) 7.302======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 7.541 4.354 12.261) 15.039 1.095 ( 2.679 1.547 19.497) 19.741 1.668 ( 5.144 2.970 -4.989) 7.757 1.682 ( 7.462 4.308 -7.866) 11.667 2.034 ( 19.031 10.988 14.249) 26.191 2.888 ( -1.120 -0.646 -9.315) 9.404 5.334 ( 4.568 2.637 1.109) 5.390 6.301 ( -2.894 -1.671 -1.900) 3.844 6.410 ( -1.733 -1.000 -0.759) 2.140 6.518 ( 23.262 13.430 -14.744) 30.641 8.190 ( -12.784 -7.381 4.610) 15.465 8.421 ( -3.919 -2.263 -1.225) 4.688======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 8.143 4.702 7.099) 11.782 1.210 ( 4.248 2.452 12.942) 13.841 1.794 ( 7.142 4.124 -3.232) 8.858 1.823 ( 6.086 3.514 -4.857) 8.542 2.456 ( 14.640 8.452 2.851) 17.143 2.951 ( 8.623 4.978 -3.309) 10.492 5.463 ( 6.563 3.789 0.865) 7.628 6.181 ( -5.671 -3.274 -0.553) 6.572 6.370 ( -1.457 -0.841 -0.679) 1.814 6.910 ( 13.755 7.942 -11.120) 19.389 7.901 ( -13.657 -7.885 4.161) 16.309 8.331 ( -3.514 -2.029 -0.747) 4.126======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 6.417 3.705 3.179) 8.063 1.369 ( 7.153 4.130 7.607) 11.229 1.923 ( 3.968 2.291 -3.252) 5.619 1.965 ( 8.373 4.834 -1.517) 9.787 2.679 ( 5.749 3.319 -1.903) 6.906 3.227 ( 14.350 8.285 0.844) 16.592 5.628 ( 7.713 4.453 0.638) 8.929 6.073 ( -3.392 -1.958 0.140) 3.919 6.345 ( -0.537 -0.310 -0.529) 0.815 7.077 ( 3.946 2.278 -9.870) 10.871 7.614 ( -12.398 -7.158 4.152) 14.906 8.274 ( -1.305 -0.753 0.731) 1.675======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 4.471 2.581 0.800) 5.224 1.557 ( 7.645 4.414 3.530) 9.507 1.994 ( 3.249 1.876 -2.082) 4.291 2.147 ( 7.705 4.448 -0.466) 8.909 2.730 ( -0.511 -0.295 -1.582) 1.689 3.536 ( 12.109 6.991 1.200) 14.034 5.802 ( 7.351 4.244 0.286) 8.494 6.046 ( 1.092 0.630 0.832) 1.510 6.344 ( 0.431 0.249 -0.190) 0.533 7.040 ( -4.689 -2.707 -7.956) 9.623 7.393 ( -7.620 -4.399 3.146) 9.344 8.275 ( 0.833 0.481 1.757) 2.003======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 2.904 1.676 -0.407) 3.378 1.718 ( 6.241 3.603 -0.831) 7.254 2.063 ( 3.290 1.900 -1.066) 3.946 2.295 ( 5.229 3.019 0.007) 6.038 2.661 ( -4.820 -2.783 -0.849) 5.631 3.763 ( 7.599 4.387 1.914) 8.980 5.948 ( 5.452 3.148 -0.307) 6.303 6.127 ( 5.711 3.298 0.841) 6.648 6.358 ( 0.655 0.378 0.407) 0.859 6.863 ( -8.628 -4.982 -2.521) 10.277 7.284 ( -3.005 -1.735 -0.119) 3.472 8.307 ( 1.264 0.730 1.749) 2.278======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 1.600 0.923 -0.939) 2.072 1.835 ( 4.980 2.875 -4.027) 7.021 2.131 ( 2.956 1.707 -1.735) 3.829 2.374 ( 1.649 0.952 0.201) 1.914 2.535 ( -5.788 -3.342 0.926) 6.747 3.883 ( 2.323 1.341 2.640) 3.764 6.039 ( 2.665 1.538 -0.961) 3.223 6.291 ( 8.301 4.792 -0.936) 9.630 6.366 ( -0.295 -0.170 1.055) 1.109 6.671 ( -7.832 -4.522 2.251) 9.320 7.244 ( -0.428 -0.247 -1.634) 1.707 8.334 ( 0.641 0.370 1.433) 1.613======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 0.000 9.748 16.441) 19.113 0.979 ( 0.000 11.963 15.528) 19.602 1.474 ( -0.000 -0.851 -9.495) 9.533 1.613 ( 0.000 6.630 3.788) 7.636 1.674 ( 0.000 10.940 20.722) 23.433 3.011 ( -0.000 -11.509 -13.570) 17.794 5.254 ( 0.000 2.660 1.322) 2.971 5.765 ( -0.000 39.901 -12.793) 41.901 6.428 ( -0.000 -2.811 -1.158) 3.041 6.442 ( -0.000 -1.457 -0.736) 1.632 8.411 ( 0.000 -6.927 3.135) 7.604 8.537 ( -0.000 -5.843 -0.867) 5.907======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( -1.733 13.255 12.165) 18.074 1.169 ( 1.242 8.076 17.549) 19.358 1.503 ( 7.147 0.644 -9.684) 12.053 1.706 ( 1.629 9.157 -5.092) 10.604 1.945 ( 10.468 13.724 18.624) 25.392 2.862 ( -1.580 -4.249 -11.356) 12.227 5.311 ( 2.423 4.096 1.123) 4.890 6.244 ( 13.712 21.930 -10.276) 27.830 6.379 ( 0.813 1.098 -4.414) 4.621 6.419 ( -0.669 -1.471 -0.668) 1.749 8.274 ( -6.341 -11.725 3.927) 13.896 8.457 ( -3.299 -2.756 -1.636) 4.600======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 1.342 12.937 7.574) 15.051 1.265 ( -0.993 5.259 13.892) 14.887 1.656 ( 9.667 3.419 -4.522) 11.206 1.813 ( 2.615 8.248 -5.211) 10.101 2.328 ( 13.117 12.250 6.430) 19.065 2.859 ( 5.481 3.379 -6.016) 8.812 5.420 ( 4.414 5.684 0.935) 7.257 6.231 ( -4.751 -4.361 -0.434) 6.464 6.386 ( -1.203 -0.844 -0.850) 1.697 6.729 ( 14.933 13.439 -10.110) 22.490 8.026 ( -10.226 -11.123 3.507) 15.511 8.365 ( -3.690 -2.771 -1.349) 4.808======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 1.557 10.793 4.389) 11.755 1.364 ( 2.862 6.276 9.250) 11.539 1.834 ( 7.247 3.548 -1.599) 8.226 1.928 ( 4.140 7.719 -3.749) 9.528 2.600 ( 7.732 5.746 -1.463) 9.743 3.081 ( 12.829 9.296 -0.239) 15.845 5.573 ( 5.850 7.013 0.831) 9.170 6.112 ( -4.129 -3.457 0.198) 5.389 6.361 ( -1.063 0.448 -0.807) 1.408 6.983 ( 7.697 4.876 -8.316) 12.336 7.750 ( -11.366 -9.310 3.158) 15.028 8.284 ( -2.030 -2.719 0.013) 3.393======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 0.902 7.918 2.672) 8.406 1.526 ( 4.949 7.513 5.833) 10.722 1.940 ( 4.035 1.374 -1.954) 4.689 2.098 ( 6.019 9.132 -1.125) 10.995 2.713 ( 2.418 1.397 -2.185) 3.546 3.398 ( 12.987 8.601 0.421) 15.583 5.749 ( 6.048 7.557 0.724) 9.706 6.046 ( -0.877 -1.060 1.110) 1.768 6.356 ( -0.563 1.768 -0.690) 1.980 7.043 ( -0.201 -0.187 -8.015) 8.020 7.497 ( -9.647 -6.803 3.143) 12.216 8.253 ( 0.950 -2.325 1.450) 2.900======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 0.304 6.205 1.094) 6.308 1.685 ( 3.917 6.503 2.375) 7.954 2.013 ( 4.006 1.143 -1.295) 4.362 2.273 ( 4.268 8.358 -0.097) 9.385 2.701 ( -2.768 -1.301 -1.953) 3.629 3.664 ( 9.944 5.294 1.003) 11.310 5.915 ( 4.629 7.023 0.459) 8.424 6.076 ( 3.584 1.720 1.614) 4.291 6.370 ( -0.227 2.389 -0.382) 2.430 6.946 ( -6.604 -2.591 -4.881) 8.611 7.328 ( -5.099 -3.597 1.307) 6.376 8.269 ( 2.707 -2.276 1.801) 3.969======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( -0.532 5.025 0.113) 5.054 1.794 ( 2.855 4.494 -1.625) 5.566 2.088 ( 3.585 1.297 -0.890) 3.915 2.394 ( 1.184 6.705 0.356) 6.818 2.603 ( -5.670 -2.019 -1.084) 6.116 3.836 ( 5.703 1.682 1.965) 6.262 6.036 ( 2.091 5.840 -0.020) 6.203 6.196 ( 6.803 3.008 0.825) 7.484 6.387 ( -0.422 2.134 0.040) 2.176 6.780 ( -8.447 -2.261 -0.120) 8.745 7.251 ( -1.699 -1.205 -0.994) 2.308 8.298 ( 2.736 -2.559 1.445) 4.015======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 0.000 13.407 10.319) 16.918 1.296 ( 0.000 11.316 11.891) 16.415 1.420 ( -0.000 2.504 -11.139) 11.417 1.765 ( -0.000 8.421 -3.200) 9.009 2.058 ( 0.000 16.657 15.460) 22.726 2.802 ( -0.000 -2.530 -10.211) 10.520 5.340 ( 0.000 5.499 0.924) 5.576 6.315 ( -0.000 4.906 -1.115) 5.031 6.392 ( -0.000 17.406 -10.097) 20.123 6.401 ( -0.000 -2.230 -0.498) 2.285 8.207 ( 0.000 -14.079 3.340) 14.470 8.453 ( -0.000 -2.840 -2.446) 3.748======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -2.088 13.297 4.573) 14.216 1.369 ( -0.939 3.735 3.520) 5.218 1.555 ( 7.409 10.031 0.277) 12.474 1.841 ( 1.369 6.856 -5.337) 8.795 2.314 ( 6.277 15.150 7.131) 17.882 2.807 ( 3.129 4.694 -4.550) 7.247 5.425 ( 2.601 6.944 0.712) 7.449 6.252 ( -3.162 -4.905 -0.902) 5.905 6.381 ( 0.111 -1.621 -0.735) 1.784 6.652 ( 8.202 16.602 -6.404) 19.594 8.037 ( -4.543 -13.842 2.646) 14.806 8.392 ( -2.940 -2.700 -2.616) 4.773======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 0.753 12.215 0.369) 12.244 1.416 ( 0.234 5.121 4.713) 6.963 1.774 ( 6.026 8.174 2.895) 10.559 1.925 ( 3.565 6.830 -5.642) 9.549 2.544 ( 5.884 7.918 -0.562) 9.881 2.994 ( 9.111 11.865 0.918) 14.988 5.564 ( 4.584 8.417 0.661) 9.607 6.142 ( -3.817 -4.109 -0.596) 5.640 6.371 ( 0.087 -0.064 -0.926) 0.932 6.891 ( 7.405 7.095 -4.273) 11.110 7.815 ( -7.305 -11.856 2.009) 14.070 8.300 ( -3.481 -2.894 -1.678) 4.828======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( -0.839 8.388 2.803) 8.884 1.544 ( 4.514 9.162 2.452) 10.503 1.893 ( 2.665 2.137 -0.034) 3.416 2.096 ( 6.195 11.189 -1.627) 12.892 2.674 ( 3.713 3.249 -1.698) 5.218 3.289 ( 10.812 11.185 0.620) 15.568 5.739 ( 5.425 9.312 0.726) 10.802 6.059 ( -2.070 -1.915 0.332) 2.840 6.379 ( 0.093 1.740 -1.000) 2.009 7.007 ( 2.895 1.588 -4.496) 5.578 7.584 ( -8.245 -9.054 1.852) 12.385 8.224 ( -1.225 -3.335 -0.019) 3.553======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( -0.980 7.717 1.866) 8.000 1.711 ( 3.252 8.592 3.021) 9.671 1.950 ( 3.553 0.521 -1.196) 3.785 2.296 ( 4.508 10.698 0.071) 11.609 2.721 ( -0.245 1.269 -1.967) 2.354 3.553 ( 9.681 6.696 0.255) 11.774 5.919 ( 4.664 8.879 0.815) 10.063 6.050 ( 1.526 0.962 1.295) 2.220 6.399 ( -0.092 2.762 -0.940) 2.919 7.001 ( -2.744 0.036 -4.407) 5.192 7.387 ( -6.478 -5.802 1.580) 8.839 8.197 ( 1.936 -4.051 1.114) 4.626======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( -1.736 7.211 1.221) 7.516 1.816 ( 0.510 5.520 0.699) 5.588 2.028 ( 4.692 1.131 -0.633) 4.868 2.439 ( 1.880 6.483 0.592) 6.776 2.692 ( -4.489 3.559 -2.148) 6.118 3.742 ( 7.501 1.793 0.983) 7.775 6.062 ( 2.926 6.915 0.970) 7.571 6.133 ( 4.629 3.292 1.316) 5.831 6.417 ( -0.533 2.274 -0.866) 2.491 6.907 ( -7.277 1.131 -1.712) 7.560 7.271 ( -2.879 -2.496 -0.069) 3.811 8.208 ( 3.710 -4.789 1.215) 6.179======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -0.000 1.381 -6.737) 6.877 1.433 ( 0.000 12.062 2.320) 12.283 1.627 ( 0.000 13.710 4.579) 14.455 1.867 ( -0.000 4.185 -6.090) 7.390 2.427 ( 0.000 13.302 3.780) 13.828 2.846 ( 0.000 11.049 1.000) 11.094 5.475 ( 0.000 7.943 0.286) 7.948 6.228 ( -0.000 -4.923 -2.261) 5.417 6.357 ( -0.000 -1.943 -0.081) 1.945 6.726 ( 0.000 13.326 -2.016) 13.478 7.939 ( -0.000 -14.522 1.643) 14.614 8.385 ( -0.000 -2.280 -3.370) 4.069======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 3.048 2.853 -4.493) 6.133 1.529 ( -1.257 10.814 -2.054) 11.079 1.807 ( 3.299 11.271 4.780) 12.680 1.903 ( 3.037 4.114 -6.292) 8.108 2.557 ( 2.016 7.864 0.979) 8.177 3.027 ( 3.952 16.308 3.691) 17.181 5.584 ( 3.012 8.910 0.059) 9.405 6.153 ( -2.422 -3.919 -2.382) 5.186 6.352 ( 1.134 -0.863 -0.301) 1.456 6.860 ( 3.588 6.671 0.572) 7.597 7.778 ( -2.884 -13.446 0.767) 13.773 8.329 ( -3.022 -1.858 -3.095) 4.707======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 5.646 3.776 0.180) 6.795 1.611 ( 0.227 10.579 -3.993) 11.309 1.893 ( 0.489 2.291 0.608) 2.420 2.085 ( 7.652 11.523 -0.961) 13.865 2.654 ( 2.444 3.850 0.593) 4.599 3.277 ( 5.767 14.803 1.934) 16.003 5.745 ( 5.027 9.621 0.084) 10.856 6.076 ( -2.219 -1.807 -1.523) 3.242 6.375 ( 1.564 0.847 -0.637) 1.889 6.962 ( 3.350 1.587 0.669) 3.767 7.596 ( -4.456 -11.116 0.373) 11.982 8.241 ( -3.952 -1.916 -1.884) 4.779======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 2.756 4.787 1.302) 5.676 1.742 ( 4.058 9.975 -1.270) 10.843 1.915 ( 0.635 0.528 -0.054) 0.827 2.313 ( 5.946 10.338 0.059) 11.926 2.721 ( 2.083 2.483 -0.084) 3.242 3.497 ( 5.614 9.470 0.319) 11.013 5.927 ( 5.110 9.159 0.239) 10.491 6.049 ( 0.047 1.031 -0.251) 1.063 6.412 ( 1.173 1.915 -0.662) 2.341 7.009 ( 1.273 0.407 -0.584) 1.459 7.423 ( -4.840 -7.920 0.453) 9.293 8.161 ( -2.147 -2.881 -0.395) 3.615======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 0.344 6.190 0.697) 6.238 1.876 ( -0.262 6.153 1.088) 6.254 1.952 ( 5.024 0.915 -0.635) 5.146 2.456 ( 2.036 3.962 0.187) 4.459 2.788 ( 0.454 7.767 -0.972) 7.841 3.649 ( 5.250 2.801 0.241) 5.956 6.070 ( 3.110 5.139 0.690) 6.046 6.111 ( 3.504 5.325 0.516) 6.396 6.437 ( 0.003 1.176 -0.552) 1.299 7.015 ( -2.371 3.158 -1.086) 4.096 7.293 ( -3.308 -4.303 0.214) 5.432 8.115 ( 1.018 -4.612 0.534) 4.753======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -0.000 2.615 -5.419) 6.018 1.621 ( -0.000 8.393 -8.328) 11.823 1.890 ( -0.000 2.351 -2.384) 3.348 1.904 ( 0.000 12.308 2.839) 12.631 2.615 ( 0.000 5.522 2.556) 6.085 3.181 ( 0.000 18.471 4.136) 18.928 5.643 ( 0.000 9.049 -0.444) 9.060 6.131 ( -0.000 -2.820 -3.864) 4.784 6.331 ( 0.000 -0.675 0.437) 0.804 6.890 ( 0.000 3.491 3.843) 5.192 7.670 ( -0.000 -13.229 -0.384) 13.234 8.334 ( -0.000 -0.851 -3.440) 3.544======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 4.964 3.152 -2.782) 6.504 1.669 ( 0.923 6.634 -9.526) 11.645 1.916 ( -0.140 3.179 0.734) 3.265 2.077 ( 5.671 11.117 1.075) 12.526 2.667 ( 0.530 2.367 3.028) 3.880 3.381 ( 1.571 16.657 2.354) 16.896 5.761 ( 3.525 9.085 -0.589) 9.763 6.087 ( -1.407 -0.745 -3.528) 3.870 6.347 ( 1.852 0.403 0.239) 1.910 6.934 ( 1.668 -0.221 4.606) 4.903 7.531 ( -1.551 -11.514 -0.977) 11.659 8.291 ( -3.313 -0.239 -2.827) 4.362======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 6.983 3.089 -0.418) 7.647 1.749 ( 3.882 6.291 -5.670) 9.316 1.941 ( -1.109 3.230 1.080) 3.582 2.296 ( 7.290 9.545 0.031) 12.010 2.702 ( 1.828 0.168 2.389) 3.013 3.552 ( 1.153 12.108 0.496) 12.172 5.925 ( 5.286 8.597 -0.565) 10.108 6.065 ( -0.631 1.962 -2.172) 2.994 6.395 ( 2.381 1.230 0.104) 2.682 6.968 ( 2.681 -2.125 3.332) 4.775 7.397 ( -2.130 -8.662 -0.806) 8.956 8.209 ( -5.045 -0.295 -1.695) 5.331======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( -0.000 3.128 -2.663) 4.108 1.677 ( -0.000 4.221 -10.170) 11.011 1.962 ( 0.000 4.495 1.675) 4.797 2.132 ( 0.000 9.794 1.210) 9.869 2.685 ( 0.000 -0.301 3.693) 3.705 3.535 ( 0.000 15.360 1.280) 15.414 5.811 ( 0.000 8.199 -0.747) 8.233 6.090 ( -0.000 1.228 -4.160) 4.337 6.337 ( 0.000 0.808 0.619) 1.018 6.921 ( 0.000 -2.896 5.739) 6.428 7.433 ( -0.000 -9.998 -1.568) 10.121 8.316 ( -0.000 0.661 -2.748) 2.826======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 5.379 2.864 -1.171) 6.205 1.718 ( 2.951 4.180 -5.566) 7.561 2.003 ( -0.915 4.447 1.141) 4.682 2.271 ( 5.377 8.182 0.321) 9.796 2.680 ( 0.338 -2.777 3.100) 4.176 3.669 ( -0.386 11.897 -0.169) 11.904 5.920 ( 3.932 7.367 -0.659) 8.377 6.096 ( -0.639 3.701 -3.072) 4.852 6.367 ( 2.019 1.151 0.392) 2.357 6.907 ( 1.473 -5.290 4.401) 7.037 7.338 ( -0.666 -7.143 -1.054) 7.251 8.286 ( -3.571 0.989 -2.089) 4.254======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 0.000 2.817 -0.292) 2.832 1.723 ( -0.000 4.664 -2.028) 5.086 2.055 ( 0.000 4.025 0.845) 4.113 2.294 ( 0.000 6.238 0.235) 6.242 2.648 ( 0.000 -4.878 2.216) 5.357 3.777 ( 0.000 9.340 -1.256) 9.424 5.947 ( 0.000 5.946 -0.102) 5.947 6.141 ( -0.000 5.969 -2.404) 6.435 6.360 ( 0.000 1.098 -0.031) 1.099 6.841 ( 0.000 -7.706 2.661) 8.152 7.284 ( -0.000 -4.556 -0.086) 4.557 8.323 ( -0.000 1.216 -1.903) 2.258======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( 0.000 0.000 17.924) 17.924 0.842 ( 0.000 0.000 17.924) 17.924 1.482 ( -0.000 -0.000 -8.973) 8.973 1.482 ( -0.000 -0.000 -8.973) 8.973 1.683 ( 0.000 0.000 35.816) 35.816 3.133 ( -0.000 -0.000 -21.689) 21.689 5.233 ( 0.000 0.000 1.291) 1.291 5.233 ( 0.000 0.000 1.291) 1.291 6.455 ( -0.000 -0.000 -0.728) 0.728 6.455 ( -0.000 -0.000 -0.728) 0.728 8.469 ( 0.000 0.000 2.243) 2.243 8.622 ( -0.000 -0.000 -1.135) 1.135======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 1.107 0.639 17.539) 17.585 1.090 ( 9.216 5.321 17.598) 20.565 1.477 ( 4.086 2.359 -11.239) 12.189 1.528 ( 3.979 2.297 -8.113) 9.324 1.848 ( 7.015 4.050 28.517) 29.645 2.928 ( -8.065 -4.656 -16.174) 18.663 5.263 ( 2.293 1.324 1.073) 2.857 5.711 ( 33.075 19.096 -9.020) 39.243 6.419 ( -2.928 -1.691 -0.818) 3.479 6.440 ( -1.155 -0.667 -0.677) 1.496 8.433 ( -4.829 -2.788 3.103) 6.382 8.522 ( -6.634 -3.830 -1.195) 7.754======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 5.423 3.131 13.855) 15.204 1.254 ( 1.169 0.675 17.436) 17.488 1.608 ( 9.462 5.463 -9.004) 14.158 1.619 ( 5.993 3.460 -6.624) 9.579 2.154 ( 13.811 7.974 13.848) 21.121 2.801 ( 0.901 0.520 -11.036) 11.085 5.342 ( 4.515 2.607 0.829) 5.279 6.287 ( 1.334 0.770 -1.525) 2.168 6.404 ( -1.730 -0.999 -0.628) 2.094 6.415 ( 19.863 11.468 -9.638) 24.879 8.223 ( -12.766 -7.371 3.175) 15.079 8.412 ( -3.809 -2.199 -0.784) 4.468======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 6.121 3.534 8.961) 11.412 1.321 ( 2.378 1.373 12.722) 13.015 1.762 ( 8.085 4.668 -4.405) 10.323 1.785 ( 6.961 4.019 -3.679) 8.840 2.475 ( 11.364 6.561 1.437) 13.200 2.920 ( 11.279 6.512 -3.972) 13.616 5.469 ( 6.531 3.771 0.707) 7.574 6.181 ( -5.520 -3.187 0.597) 6.402 6.365 ( -1.446 -0.835 -0.615) 1.779 6.824 ( 14.220 8.210 -8.932) 18.691 7.930 ( -13.582 -7.842 2.690) 15.913 8.330 ( -3.149 -1.818 0.479) 3.668======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 4.961 2.864 4.673) 7.393 1.447 ( 5.527 3.191 10.407) 12.208 1.898 ( 4.225 2.440 -2.489) 5.477 1.949 ( 9.068 5.235 -2.232) 10.706 2.661 ( 5.518 3.186 -2.408) 6.811 3.226 ( 14.951 8.632 -1.020) 17.294 5.633 ( 7.653 4.418 0.686) 8.863 6.081 ( -3.221 -1.860 1.717) 4.097 6.341 ( -0.475 -0.274 -0.598) 0.812 6.999 ( 3.902 2.253 -8.613) 9.720 7.644 ( -12.162 -7.022 2.810) 14.322 8.286 ( -0.953 -0.550 1.979) 2.265======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 3.616 2.088 1.883) 4.580 1.602 ( 5.546 3.202 7.249) 9.672 1.977 ( 3.643 2.103 -1.877) 4.606 2.141 ( 8.067 4.658 -0.896) 9.358 2.712 ( -0.266 -0.153 -2.701) 2.719 3.540 ( 12.577 7.261 -0.070) 14.523 5.805 ( 7.177 4.144 0.560) 8.306 6.061 ( 1.057 0.610 2.646) 2.914 6.341 ( 0.608 0.351 -0.437) 0.827 6.976 ( -3.352 -1.935 -7.115) 8.100 7.417 ( -8.347 -4.819 2.317) 9.913 8.293 ( 0.794 0.459 2.439) 2.606======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 0.000 7.763 16.921) 18.617 1.102 ( 0.000 10.635 13.482) 17.172 1.388 ( -0.000 -1.226 -10.526) 10.597 1.558 ( -0.000 9.524 -9.200) 13.242 1.917 ( 0.000 4.861 28.557) 28.968 2.880 ( -0.000 -8.722 -17.073) 19.172 5.264 ( 0.000 2.605 1.023) 2.799 5.684 ( -0.000 36.034 -6.847) 36.679 6.419 ( -0.000 -3.163 -0.869) 3.281 6.437 ( -0.000 -1.425 -0.537) 1.523 8.437 ( 0.000 -6.119 2.983) 6.807 8.527 ( -0.000 -6.421 -1.642) 6.628======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( -2.296 10.049 13.315) 16.839 1.307 ( 1.991 5.599 14.432) 15.607 1.417 ( 9.186 2.332 -9.912) 13.713 1.643 ( 1.498 10.653 -9.107) 14.095 2.106 ( 6.736 8.717 18.141) 21.224 2.759 ( -0.388 -2.000 -12.507) 12.672 5.319 ( 2.386 4.057 0.759) 4.768 6.170 ( 16.295 26.994 -6.947) 32.287 6.356 ( -2.084 -3.544 -1.678) 4.440 6.414 ( -0.694 -1.408 -0.454) 1.634 8.303 ( -6.351 -11.855 2.888) 13.756 8.442 ( -2.964 -2.996 -1.603) 4.509======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 0.856 9.531 8.920) 13.082 1.359 ( 0.115 2.383 7.389) 7.765 1.632 ( 9.720 5.876 -0.235) 11.361 1.762 ( 3.525 8.805 -6.466) 11.479 2.376 ( 9.465 8.818 4.504) 13.698 2.810 ( 7.389 6.359 -5.376) 11.133 5.427 ( 4.413 5.691 0.594) 7.227 6.231 ( -4.559 -4.521 0.367) 6.432 6.379 ( -1.120 -0.907 -0.665) 1.587 6.658 ( 14.686 14.805 -6.584) 21.868 8.050 ( -10.208 -11.243 1.981) 15.314 8.358 ( -3.058 -3.109 -0.364) 4.376======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( 1.326 8.648 5.028) 10.090 1.443 ( 3.380 4.318 8.595) 10.195 1.830 ( 6.069 4.446 0.998) 7.589 1.892 ( 5.459 8.244 -4.703) 10.950 2.586 ( 6.857 5.114 -1.794) 8.740 3.073 ( 13.212 10.473 -1.603) 16.935 5.579 ( 5.866 7.051 0.618) 9.193 6.118 ( -3.707 -3.603 1.336) 5.339 6.355 ( -1.023 0.349 -0.600) 1.237 6.921 ( 6.842 5.745 -6.334) 10.951 7.771 ( -11.069 -9.380 1.773) 14.617 8.290 ( -1.266 -2.967 1.282) 3.471======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( 0.469 7.223 2.564) 7.679 1.589 ( 4.448 5.477 8.863) 11.329 1.925 ( 3.628 1.615 -1.409) 4.214 2.088 ( 6.574 9.750 -1.370) 11.839 2.692 ( 2.321 1.548 -2.734) 3.906 3.395 ( 13.240 9.032 -1.055) 16.062 5.755 ( 6.000 7.597 0.713) 9.707 6.061 ( -0.512 -1.278 2.563) 2.910 6.351 ( -0.471 1.696 -0.564) 1.849 6.982 ( -0.496 0.694 -6.562) 6.618 7.519 ( -9.491 -7.007 1.974) 11.961 8.269 ( 1.313 -2.630 2.320) 3.745======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( 0.000 9.810 11.558) 15.160 1.318 ( -0.000 1.673 -12.493) 12.605 1.394 ( 0.000 11.220 10.748) 15.537 1.706 ( -0.000 9.953 -9.693) 13.893 2.194 ( 0.000 10.726 14.890) 18.351 2.718 ( -0.000 1.187 -9.023) 9.101 5.346 ( 0.000 5.367 0.553) 5.395 6.304 ( 0.000 24.733 -2.059) 24.818 6.331 ( -0.000 -1.247 -3.696) 3.900 6.398 ( -0.000 -2.154 -0.228) 2.166 8.231 ( -0.000 -14.399 2.313) 14.584 8.433 ( -0.000 -3.250 -2.272) 3.965======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( -0.845 7.165 -0.256) 7.219 1.368 ( 1.693 4.331 -0.740) 4.709 1.592 ( 5.941 11.091 7.076) 14.435 1.780 ( 1.653 7.646 -8.347) 11.440 2.371 ( 4.031 10.670 5.411) 12.625 2.777 ( 3.719 9.086 -2.144) 10.049 5.429 ( 2.661 6.821 0.300) 7.327 6.244 ( -2.749 -5.523 -0.960) 6.244 6.376 ( -0.093 -1.475 -0.359) 1.521 6.617 ( 7.696 18.528 -1.958) 20.158 8.054 ( -4.543 -14.209 1.377) 14.981 8.372 ( -2.463 -3.177 -1.961) 4.473======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 2.596 8.817 0.388) 9.200 1.440 ( 2.100 4.426 1.186) 5.041 1.814 ( 4.498 8.063 6.079) 11.054 1.871 ( 4.752 7.856 -6.893) 11.481 2.541 ( 4.713 7.244 -0.114) 8.643 2.999 ( 8.582 13.514 0.300) 16.012 5.567 ( 4.716 8.338 0.230) 9.582 6.139 ( -3.172 -4.568 -0.184) 5.564 6.366 ( -0.006 -0.108 -0.358) 0.374 6.866 ( 6.093 8.559 -1.471) 10.608 7.826 ( -7.134 -12.126 0.704) 14.086 8.290 ( -2.582 -3.362 -0.608) 4.283======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -0.451 8.517 0.483) 8.542 1.576 ( 6.708 6.071 4.360) 10.043 1.894 ( 1.682 1.682 0.184) 2.386 2.085 ( 6.695 12.290 -0.787) 14.018 2.662 ( 3.110 3.688 -1.269) 4.989 3.288 ( 10.339 11.690 -0.709) 15.622 5.744 ( 5.586 9.260 0.348) 10.820 6.065 ( -1.332 -2.349 1.079) 2.908 6.373 ( 0.053 1.658 -0.261) 1.680 6.976 ( 1.395 2.805 -2.711) 4.142 7.594 ( -7.860 -9.282 0.700) 12.183 8.229 ( -0.374 -3.831 1.020) 3.982======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( -0.000 2.863 -9.302) 9.732 1.443 ( 0.000 7.697 -0.569) 7.718 1.673 ( 0.000 12.205 5.776) 13.503 1.808 ( -0.000 5.597 -6.718) 8.744 2.459 ( 0.000 10.450 3.273) 10.950 2.860 ( 0.000 14.381 2.472) 14.592 5.476 ( 0.000 7.742 -0.077) 7.743 6.208 ( -0.000 -5.571 -2.310) 6.031 6.358 ( -0.000 -1.814 0.198) 1.825 6.727 ( 0.000 15.079 2.152) 15.232 7.948 ( -0.000 -15.053 0.461) 15.060 8.359 ( -0.000 -2.654 -2.799) 3.857======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 4.907 3.984 -5.434) 8.336 1.501 ( -0.047 7.347 -5.042) 8.911 1.850 ( 2.494 7.645 4.165) 9.056 1.855 ( 3.735 8.328 -3.646) 9.829 2.570 ( 1.352 7.935 1.855) 8.260 3.054 ( 3.260 16.878 2.763) 17.411 5.583 ( 3.125 8.725 -0.308) 9.273 6.133 ( -1.789 -4.533 -2.138) 5.322 6.352 ( 0.874 -0.773 0.199) 1.184 6.878 ( 2.667 7.970 3.684) 9.177 7.780 ( -2.742 -13.931 -0.403) 14.204 8.305 ( -2.525 -2.133 -2.385) 4.076======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( -0.000 4.056 -5.480) 6.818 1.538 ( -0.000 6.184 -10.857) 12.494 1.884 ( 0.000 4.331 0.677) 4.383 1.928 ( 0.000 11.382 2.725) 11.703 2.639 ( 0.000 6.047 2.789) 6.659 3.210 ( 0.000 17.903 2.717) 18.108 5.639 ( 0.000 8.886 -0.619) 8.907 6.101 ( -0.000 -3.351 -3.088) 4.557 6.336 ( 0.000 -0.567 0.567) 0.802 6.934 ( 0.000 4.177 6.553) 7.771 7.662 ( -0.000 -13.697 -1.501) 13.779 8.307 ( -0.000 -0.867 -2.931) 3.057======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.984 ( 0.000 0.000 15.702) 15.702 0.984 ( 0.000 0.000 15.702) 15.702 1.400 ( -0.000 -0.000 -10.179) 10.179 1.400 ( -0.000 -0.000 -10.179) 10.179 1.967 ( 0.000 0.000 30.841) 30.841 2.944 ( -0.000 -0.000 -22.369) 22.369 5.242 ( 0.000 0.000 0.877) 0.877 5.242 ( 0.000 0.000 0.877) 0.877 6.450 ( -0.000 -0.000 -0.495) 0.495 6.450 ( -0.000 -0.000 -0.495) 0.495 8.486 ( 0.000 0.000 1.765) 1.765 8.613 ( -0.000 -0.000 -1.014) 1.014======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( 0.673 0.389 16.489) 16.507 1.226 ( 11.139 6.431 14.088) 19.076 1.377 ( 2.739 1.581 -11.729) 12.148 1.452 ( 4.567 2.637 -9.714) 11.053 2.071 ( 3.030 1.749 23.286) 23.547 2.785 ( -5.580 -3.222 -16.725) 17.923 5.270 ( 2.251 1.299 0.601) 2.667 5.656 ( 30.170 17.419 -4.274) 35.099 6.413 ( -3.027 -1.747 -0.449) 3.524 6.435 ( -1.164 -0.672 -0.422) 1.408 8.458 ( -3.760 -2.171 2.725) 5.126 8.509 ( -7.350 -4.243 -1.693) 8.654======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 3.818 2.204 14.255) 14.921 1.363 ( 0.233 0.134 5.463) 5.470 1.556 ( 12.015 6.937 -0.464) 13.881 1.556 ( 6.971 4.025 -8.208) 11.496 2.255 ( 8.875 5.124 8.978) 13.625 2.711 ( 3.327 1.921 -9.180) 9.951 5.347 ( 4.512 2.605 0.405) 5.226 6.278 ( 9.635 5.563 -0.430) 11.134 6.354 ( 11.596 6.695 -5.027) 14.303 6.400 ( -1.755 -1.013 -0.389) 2.064 8.242 ( -12.850 -7.419 1.299) 14.895 8.409 ( -3.415 -1.971 0.218) 3.949======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 4.207 2.429 9.759) 10.901 1.410 ( 3.053 1.763 7.572) 8.353 1.721 ( 9.224 5.325 -5.363) 11.925 1.772 ( 6.770 3.908 1.273) 7.920 2.477 ( 9.108 5.258 -0.937) 10.559 2.887 ( 12.918 7.458 -3.670) 15.362 5.474 ( 6.581 3.800 0.428) 7.612 6.191 ( -5.242 -3.026 1.679) 6.281 6.360 ( -1.486 -0.858 -0.444) 1.773 6.761 ( 13.963 8.061 -5.875) 17.160 7.946 ( -13.380 -7.725 1.047) 15.486 8.339 ( -2.708 -1.563 1.753) 3.585======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 0.000 7.118 16.195) 17.690 1.184 ( 0.000 7.445 2.103) 7.736 1.317 ( -0.000 0.505 -2.445) 2.496 1.471 ( -0.000 9.575 -11.331) 14.834 2.128 ( 0.000 1.746 20.001) 20.077 2.739 ( -0.000 -5.868 -14.655) 15.786 5.270 ( 0.000 2.574 0.547) 2.631 5.644 ( 0.000 33.772 -2.719) 33.882 6.413 ( -0.000 -3.388 -0.466) 3.420 6.433 ( -0.000 -1.392 -0.244) 1.413 8.461 ( 0.000 -4.943 2.544) 5.559 8.511 ( -0.000 -7.561 -2.000) 7.821======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -1.882 6.878 10.751) 12.901 1.311 ( 5.079 0.942 -9.223) 10.571 1.441 ( 7.255 7.137 11.894) 15.653 1.558 ( 2.688 11.330 -10.441) 15.639 2.229 ( 3.538 5.287 9.121) 11.120 2.669 ( 0.750 0.707 -7.148) 7.222 5.324 ( 2.351 4.043 0.268) 4.685 6.130 ( 16.501 28.177 -2.333) 32.736 6.347 ( -2.698 -4.634 -0.500) 5.385 6.411 ( -0.741 -1.356 -0.161) 1.554 8.320 ( -6.737 -12.090 1.165) 13.889 8.432 ( -2.242 -3.043 -0.751) 3.853======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 1.088 6.029 8.278) 10.298 1.380 ( 4.115 2.024 -1.514) 4.829 1.640 ( 6.735 8.671 -1.596) 11.095 1.727 ( 5.622 7.317 1.261) 9.313 2.396 ( 6.869 7.076 -0.213) 9.864 2.776 ( 8.026 8.454 -2.160) 11.856 5.430 ( 4.471 5.701 0.159) 7.247 6.236 ( -4.124 -4.847 0.882) 6.425 6.375 ( -1.086 -0.890 -0.224) 1.422 6.619 ( 13.718 15.664 -2.491) 20.970 8.059 ( -10.184 -11.200 0.244) 15.140 8.360 ( -2.278 -3.434 0.862) 4.210======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( -0.000 3.041 -13.769) 14.101 1.332 ( 0.000 5.542 9.644) 11.123 1.480 ( 0.000 9.359 9.662) 13.452 1.615 ( -0.000 11.321 -11.145) 15.887 2.281 ( 0.000 7.597 4.058) 8.613 2.671 ( 0.000 4.613 -0.769) 4.677 5.349 ( 0.000 5.265 0.084) 5.265 6.283 ( 0.000 23.234 -1.815) 23.305 6.327 ( 0.000 0.908 1.619) 1.856 6.397 ( -0.000 -2.082 0.085) 2.084 8.245 ( -0.000 -14.734 0.742) 14.753 8.416 ( -0.000 -3.542 -1.471) 3.835======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 0.000 0.000 9.076) 9.076 1.096 ( 0.000 0.000 9.076) 9.076 1.320 ( -0.000 -0.000 -7.208) 7.208 1.320 ( -0.000 -0.000 -7.208) 7.208 2.178 ( 0.000 0.000 16.041) 16.041 2.782 ( -0.000 -0.000 -13.218) 13.218 5.247 ( 0.000 0.000 0.310) 0.310 5.247 ( 0.000 0.000 0.310) 0.310 6.447 ( -0.000 -0.000 -0.175) 0.175 6.447 ( -0.000 -0.000 -0.175) 0.175 8.497 ( 0.000 0.000 0.703) 0.703 8.606 ( -0.000 -0.000 -0.437) 0.437======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 8.27e-07 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 1.308 0.755 13.654) 13.737 1.236 ( 7.722 4.458 -12.976) 15.744 1.367 ( 4.578 2.643 -9.994) 11.306 1.370 ( 6.458 3.729 11.530) 13.732 2.204 ( 0.626 0.361 4.754) 4.809 2.682 ( -3.931 -2.269 -4.078) 6.102 5.273 ( 2.228 1.286 0.027) 2.572 5.636 ( 28.887 16.678 -0.677) 33.362 6.411 ( -3.029 -1.749 0.003) 3.498 6.433 ( -1.181 -0.682 -0.095) 1.367 8.474 ( -2.078 -1.200 0.207) 2.408 8.499 ( -8.836 -5.101 0.027) 10.203=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 429.533 429.533 716.551 0.000 0.000 -0.000 3/40500 20.0 108.266 108.266 103.320 0.000 0.000 -0.000 3/40500 30.0 58.307 58.307 47.149 0.000 0.000 -0.000 3/40500 40.0 39.986 39.986 29.782 0.000 0.000 -0.000 3/40500 50.0 29.888 29.888 21.469 0.000 0.000 -0.000 3/40500 60.0 23.416 23.416 16.602 0.000 0.000 -0.000 3/40500 70.0 19.013 19.013 13.440 0.000 0.000 -0.000 3/40500 80.0 15.898 15.898 11.251 0.000 0.000 -0.000 3/40500 90.0 13.617 13.617 9.659 0.000 0.000 -0.000 3/40500 100.0 11.893 11.893 8.459 0.000 0.000 -0.000 3/40500 110.0 10.552 10.552 7.524 0.000 0.000 -0.000 3/40500 120.0 9.484 9.484 6.778 0.000 0.000 -0.000 3/40500 130.0 8.615 8.615 6.168 0.000 0.000 -0.000 3/40500 140.0 7.894 7.894 5.661 0.000 0.000 -0.000 3/40500 150.0 7.287 7.287 5.233 0.000 0.000 -0.000 3/40500 160.0 6.769 6.769 4.867 0.000 0.000 -0.000 3/40500 170.0 6.321 6.321 4.550 0.000 0.000 -0.000 3/40500 180.0 5.931 5.931 4.272 0.000 0.000 -0.000 3/40500 190.0 5.587 5.587 4.028 0.000 0.000 -0.000 3/40500 200.0 5.282 5.282 3.810 0.000 0.000 -0.000 3/40500 210.0 5.009 5.009 3.615 0.000 0.000 -0.000 3/40500 220.0 4.764 4.764 3.440 0.000 0.000 -0.000 3/40500 230.0 4.542 4.542 3.281 0.000 0.000 -0.000 3/40500 240.0 4.341 4.341 3.137 0.000 0.000 -0.000 3/40500 250.0 4.156 4.156 3.005 0.000 0.000 -0.000 3/40500 260.0 3.988 3.988 2.883 0.000 0.000 -0.000 3/40500 270.0 3.832 3.832 2.772 0.000 0.000 -0.000 3/40500 280.0 3.689 3.689 2.669 0.000 0.000 -0.000 3/40500 290.0 3.556 3.556 2.573 0.000 0.000 -0.000 3/40500 300.0 3.432 3.432 2.484 0.000 0.000 -0.000 3/40500 310.0 3.317 3.317 2.401 0.000 0.000 -0.000 3/40500 320.0 3.210 3.210 2.324 0.000 0.000 -0.000 3/40500 330.0 3.109 3.109 2.251 0.000 0.000 -0.000 3/40500 340.0 3.015 3.015 2.183 0.000 0.000 -0.000 3/40500 350.0 2.926 2.926 2.119 0.000 0.000 -0.000 3/40500 360.0 2.842 2.842 2.059 0.000 0.000 -0.000 3/40500 370.0 2.763 2.763 2.002 0.000 0.000 -0.000 3/40500 380.0 2.689 2.689 1.948 0.000 0.000 -0.000 3/40500 390.0 2.618 2.618 1.897 0.000 0.000 -0.000 3/40500 400.0 2.551 2.551 1.848 0.000 0.000 -0.000 3/40500 410.0 2.488 2.488 1.802 0.000 0.000 -0.000 3/40500 420.0 2.427 2.427 1.759 0.000 0.000 -0.000 3/40500 430.0 2.369 2.369 1.717 0.000 0.000 -0.000 3/40500 440.0 2.315 2.315 1.677 0.000 0.000 -0.000 3/40500 450.0 2.262 2.262 1.640 0.000 0.000 -0.000 3/40500 460.0 2.212 2.212 1.603 0.000 0.000 -0.000 3/40500 470.0 2.164 2.164 1.569 0.000 0.000 -0.000 3/40500 480.0 2.119 2.119 1.536 0.000 0.000 -0.000 3/40500 490.0 2.075 2.075 1.504 0.000 0.000 -0.000 3/40500 500.0 2.033 2.033 1.473 0.000 0.000 -0.000 3/40500 510.0 1.992 1.992 1.444 0.000 0.000 -0.000 3/40500 520.0 1.953 1.953 1.416 0.000 0.000 -0.000 3/40500 530.0 1.916 1.916 1.389 0.000 0.000 -0.000 3/40500 540.0 1.880 1.880 1.363 0.000 0.000 -0.000 3/40500 550.0 1.845 1.845 1.338 0.000 0.000 -0.000 3/40500 560.0 1.812 1.812 1.314 0.000 0.000 -0.000 3/40500 570.0 1.780 1.780 1.291 0.000 0.000 -0.000 3/40500 580.0 1.749 1.749 1.268 0.000 0.000 -0.000 3/40500 590.0 1.719 1.719 1.246 0.000 0.000 -0.000 3/40500 600.0 1.690 1.690 1.225 0.000 0.000 -0.000 3/40500 610.0 1.662 1.662 1.205 0.000 0.000 -0.000 3/40500 620.0 1.635 1.635 1.186 0.000 0.000 -0.000 3/40500 630.0 1.609 1.609 1.167 0.000 0.000 -0.000 3/40500 640.0 1.583 1.583 1.148 0.000 0.000 -0.000 3/40500 650.0 1.559 1.559 1.130 0.000 0.000 -0.000 3/40500 660.0 1.535 1.535 1.113 0.000 0.000 -0.000 3/40500 670.0 1.512 1.512 1.096 0.000 0.000 -0.000 3/40500 680.0 1.490 1.490 1.080 0.000 0.000 -0.000 3/40500 690.0 1.468 1.468 1.064 0.000 0.000 -0.000 3/40500 700.0 1.447 1.447 1.049 0.000 0.000 -0.000 3/40500 710.0 1.426 1.426 1.034 0.000 0.000 -0.000 3/40500 720.0 1.406 1.406 1.020 0.000 0.000 -0.000 3/40500 730.0 1.387 1.387 1.006 0.000 0.000 -0.000 3/40500 740.0 1.368 1.368 0.992 0.000 0.000 -0.000 3/40500 750.0 1.350 1.350 0.979 0.000 0.000 -0.000 3/40500 760.0 1.332 1.332 0.966 0.000 0.000 -0.000 3/40500 770.0 1.314 1.314 0.953 0.000 0.000 -0.000 3/40500 780.0 1.297 1.297 0.941 0.000 0.000 -0.000 3/40500 790.0 1.281 1.281 0.929 0.000 0.000 -0.000 3/40500 800.0 1.265 1.265 0.917 0.000 0.000 -0.000 3/40500 810.0 1.249 1.249 0.906 0.000 0.000 -0.000 3/40500 820.0 1.234 1.234 0.895 0.000 0.000 -0.000 3/40500 830.0 1.219 1.219 0.884 0.000 0.000 -0.000 3/40500 840.0 1.204 1.204 0.873 0.000 0.000 -0.000 3/40500 850.0 1.190 1.190 0.863 0.000 0.000 -0.000 3/40500 860.0 1.176 1.176 0.853 0.000 0.000 -0.000 3/40500 870.0 1.163 1.163 0.843 0.000 0.000 -0.000 3/40500 880.0 1.149 1.149 0.834 0.000 0.000 -0.000 3/40500 890.0 1.136 1.136 0.824 0.000 0.000 -0.000 3/40500 900.0 1.124 1.124 0.815 0.000 0.000 -0.000 3/40500 910.0 1.111 1.111 0.806 0.000 0.000 -0.000 3/40500 920.0 1.099 1.099 0.797 0.000 0.000 -0.000 3/40500 930.0 1.087 1.087 0.789 0.000 0.000 -0.000 3/40500 940.0 1.076 1.076 0.780 0.000 0.000 -0.000 3/40500 950.0 1.064 1.064 0.772 0.000 0.000 -0.000 3/40500 960.0 1.053 1.053 0.764 0.000 0.000 -0.000 3/40500 970.0 1.042 1.042 0.756 0.000 0.000 -0.000 3/40500 980.0 1.032 1.032 0.748 0.000 0.000 -0.000 3/40500 990.0 1.021 1.021 0.741 0.000 0.000 -0.000 3/40500 1000.0 1.011 1.011 0.733 0.000 0.000 -0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:24:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|