# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/633d2526-6b39-45e0-b4bd-9815792806aa/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 CsSmS2 / R-3m (166) / materials id 9082](https://mdr.nims.go.jp/datasets/6fad57a1-b6af-4ccd-ad84-6db13c81bcf7) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:12:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.062687800053594 1.190893356615097 7.950639953333325 b -2.062687800053590 1.190893356615097 7.950639953333325 c 0.000000000000002 -2.381786713230198 7.950639953333325Atomic positions (fractional): *1 S 0.77109099806995 0.77109099806995 0.77109099806995 32.065 2 S 0.22890900193005 0.22890900193005 0.22890900193005 32.065 *3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.125375600107184 0.000000000000000 0.000000000000000 b -2.062687800053592 3.572680069845295 0.000000000000000 c 0.000000000000000 0.000000000000000 23.851919859999999Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10442433140328 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.22890900193005 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43775766473662 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56224233526338 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.77109099806995 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89557566859672 32.065 > 2 *7 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 8 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 3 9 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 3 *10 Sm 0.33333333333333 0.66666666666667 0.16666666666667 150.360 > 4 11 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 12 Sm 0.66666666666667 0.33333333333333 0.83333333333333 150.360 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.376126800321554 0.000000000000000 0.000000000000000 b -6.188063400160777 10.718040209535886 0.000000000000000 c 0.000000000000000 0.000000000000000 23.851919859999999Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10442433140328 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10442433140328 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10442433140328 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10442433140328 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10442433140328 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10442433140328 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10442433140328 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10442433140328 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10442433140328 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22890900193005 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.22890900193005 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.22890900193005 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.22890900193005 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.22890900193005 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.22890900193005 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.22890900193005 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.22890900193005 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.22890900193005 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43775766473662 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43775766473662 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43775766473662 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43775766473662 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43775766473662 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43775766473662 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43775766473662 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43775766473662 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43775766473662 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56224233526338 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56224233526338 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56224233526338 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56224233526338 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56224233526338 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56224233526338 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56224233526338 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56224233526338 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56224233526338 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.77109099806995 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77109099806995 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77109099806995 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77109099806995 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77109099806995 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77109099806995 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77109099806995 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77109099806995 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77109099806995 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89557566859672 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89557566859672 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89557566859672 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89557566859672 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89557566859672 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89557566859672 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89557566859672 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89557566859672 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89557566859672 32.065 > 2 *55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 3 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 3 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 3 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 3 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 3 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 3 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 3 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 3 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 3 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 3 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 3 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 3 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 3 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 3 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 3 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 3 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 3 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 3 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 3 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 3 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 3 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 3 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 3 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 3 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 3 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 3 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 3 *82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 4 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 4 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 4 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 4 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 4 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 4 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 4 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 4 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 4 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 4 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 4 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 4 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 4 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 4 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 4 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 4 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 4 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 4 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 4 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 4 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 4 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 4 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 4 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 4 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 4 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7156848 0.0000000 0.0000000 0.0000000 5.7156848 0.0000000 0.0000000 0.0000000 4.7088253-------------------------- Born effective charges -------------------------- 1 S -2.8462248 -0.0000000 0.0000000 0.0000000 -2.8462248 0.0000000 0.0000000 0.0000000 -2.1263042 2 S -2.8462248 -0.0000000 0.0000000 0.0000000 -2.8462248 0.0000000 0.0000000 0.0000000 -2.1263042 3 Cs 1.1239793 0.0000000 0.0000000 0.0000000 1.1239793 0.0000000 0.0000000 0.0000000 2.1930696 4 Sm 4.5684703 -0.0000000 0.0000000 0.0000000 4.5684703 0.0000000 0.0000000 0.0000000 2.0595387----------------------------------------------------------------------------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: 169Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.122Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.129--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 169Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:12:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:38]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.062687800053594 1.190893356615097 7.950639953333325 b -2.062687800053590 1.190893356615097 7.950639953333325 c 0.000000000000002 -2.381786713230198 7.950639953333325Atomic positions (fractional): 1 S 0.77109099806995 0.77109099806995 0.77109099806995 32.065 2 S 0.22890900193005 0.22890900193005 0.22890900193005 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.376126800321554 0.000000000000000 0.000000000000000 b -6.188063400160777 10.718040209535886 0.000000000000000 c 0.000000000000000 0.000000000000000 23.851919859999999Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10442433140328 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10442433140328 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10442433140328 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10442433140328 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10442433140328 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10442433140328 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10442433140328 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10442433140328 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10442433140328 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22890900193005 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22890900193005 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22890900193005 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22890900193005 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22890900193005 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22890900193005 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22890900193005 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22890900193005 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22890900193005 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43775766473662 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43775766473662 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43775766473662 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43775766473662 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43775766473662 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43775766473662 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43775766473662 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43775766473662 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43775766473662 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56224233526338 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56224233526338 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56224233526338 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56224233526338 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56224233526338 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56224233526338 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56224233526338 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56224233526338 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56224233526338 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77109099806995 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77109099806995 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77109099806995 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77109099806995 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77109099806995 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77109099806995 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77109099806995 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77109099806995 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77109099806995 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89557566859672 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89557566859672 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89557566859672 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89557566859672 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89557566859672 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89557566859672 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89557566859672 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89557566859672 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89557566859672 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7156848 0.0000000 0.0000000 0.0000000 5.7156848 0.0000000 0.0000000 0.0000000 4.7088253-------------------------- Born effective charges -------------------------- 1 S -2.8462248 -0.0000000 0.0000000 0.0000000 -2.8462248 0.0000000 0.0000000 0.0000000 -2.1263042 2 S -2.8462248 -0.0000000 0.0000000 0.0000000 -2.8462248 0.0000000 0.0000000 0.0000000 -2.1263042 3 Cs 1.1239793 0.0000000 0.0000000 0.0000000 1.1239793 0.0000000 0.0000000 0.0000000 2.1930696 4 Sm 4.5684703 -0.0000000 0.0000000 0.0000000 4.5684703 0.0000000 0.0000000 0.0000000 2.0595387----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:12:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:12:43]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.062687800053594 1.190893356615097 7.950639953333325 b -2.062687800053590 1.190893356615097 7.950639953333325 c 0.000000000000002 -2.381786713230198 7.950639953333325Atomic positions (fractional): 1 S 0.77109099806995 0.77109099806995 0.77109099806995 32.065 2 S 0.22890900193005 0.22890900193005 0.22890900193005 32.065 3 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.376126800321554 0.000000000000000 0.000000000000000 b -6.188063400160777 10.718040209535886 0.000000000000000 c 0.000000000000000 0.000000000000000 23.851919859999999Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10442433140328 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10442433140328 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10442433140328 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10442433140328 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10442433140328 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10442433140328 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10442433140328 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10442433140328 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10442433140328 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.22890900193005 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.22890900193005 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.22890900193005 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.22890900193005 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.22890900193005 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.22890900193005 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.22890900193005 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.22890900193005 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.22890900193005 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43775766473662 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43775766473662 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43775766473662 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43775766473662 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43775766473662 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43775766473662 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43775766473662 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43775766473662 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43775766473662 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56224233526338 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56224233526338 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56224233526338 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56224233526338 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56224233526338 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56224233526338 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56224233526338 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56224233526338 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56224233526338 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.77109099806995 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.77109099806995 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.77109099806995 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.77109099806995 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.77109099806995 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.77109099806995 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.77109099806995 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.77109099806995 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.77109099806995 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89557566859672 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89557566859672 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89557566859672 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89557566859672 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89557566859672 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89557566859672 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89557566859672 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89557566859672 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89557566859672 32.065 > 10 55 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 55 56 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 55 57 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 55 58 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 55 59 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 55 60 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 55 61 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 55 62 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 55 63 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 55 64 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 55 65 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 55 66 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 55 67 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 55 68 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 55 69 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 55 70 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 55 71 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 55 72 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 55 73 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 55 74 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 55 75 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 55 76 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 55 77 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 55 78 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 55 79 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 55 80 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 55 81 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.7156848 0.0000000 0.0000000 0.0000000 5.7156848 0.0000000 0.0000000 0.0000000 4.7088253-------------------------- Born effective charges -------------------------- 1 S -2.8462248 -0.0000000 0.0000000 0.0000000 -2.8462248 0.0000000 0.0000000 0.0000000 -2.1263042 2 S -2.8462248 -0.0000000 0.0000000 0.0000000 -2.8462248 0.0000000 0.0000000 0.0000000 -2.1263042 3 Cs 1.1239793 0.0000000 0.0000000 0.0000000 1.1239793 0.0000000 0.0000000 0.0000000 2.1930696 4 Sm 4.5684703 -0.0000000 0.0000000 0.0000000 4.5684703 0.0000000 0.0000000 0.0000000 2.0595387----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 295, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.393 ( 17.574 10.147 -5.330) 20.981 0.410 ( 18.002 10.394 -4.178) 21.203 0.817 ( 31.824 18.374 13.827) 39.262 1.733 ( 1.269 0.732 0.560) 1.568 1.801 ( 7.358 4.248 -1.885) 8.702 3.022 ( -1.340 -0.774 1.390) 2.080 4.904 ( 2.548 1.471 0.269) 2.954 6.155 ( -3.905 -2.255 -0.023) 4.510 6.179 ( -2.022 -1.167 -0.013) 2.335 6.617 ( 4.075 2.353 -16.027) 16.704 7.718 ( -8.162 -4.712 2.404) 9.727 8.199 ( 0.837 0.483 -1.632) 1.897======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 16.376 9.454 -5.099) 19.584 0.799 ( 16.831 9.717 -6.043) 20.352 1.474 ( 19.646 11.343 11.075) 25.245 1.783 ( 3.034 1.752 1.165) 3.692 2.091 ( 19.635 11.336 -2.487) 22.808 2.983 ( -2.065 -1.192 -0.548) 2.447 4.992 ( 4.923 2.842 0.304) 5.693 6.037 ( -5.893 -3.402 -0.585) 6.830 6.117 ( -3.114 -1.798 0.039) 3.596 6.669 ( 2.895 1.672 -5.521) 6.454 7.498 ( -11.088 -6.402 3.372) 13.240 8.179 ( -2.026 -1.170 -4.478) 5.053======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( 12.900 7.448 -4.673) 15.611 1.145 ( 14.910 8.608 -7.993) 18.981 1.793 ( 8.014 4.627 4.820) 10.434 1.888 ( 5.831 3.367 1.623) 6.926 2.633 ( 23.214 13.403 -2.853) 26.956 2.943 ( 0.217 0.125 3.216) 3.226 5.127 ( 6.516 3.762 0.026) 7.524 5.897 ( -5.604 -3.236 -1.684) 6.687 6.047 ( -2.688 -1.552 0.205) 3.111 6.704 ( 0.584 0.337 -0.458) 0.815 7.239 ( -12.047 -6.956 3.095) 14.251 8.085 ( -4.283 -2.473 -6.065) 7.826======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 7.756 4.478 -3.659) 9.675 1.439 ( 12.866 7.428 -8.979) 17.359 1.934 ( 4.020 2.321 1.598) 4.909 2.061 ( 8.501 4.908 1.437) 9.921 2.781 ( -3.523 -2.034 -0.645) 4.119 3.284 ( 20.880 12.055 3.667) 24.387 5.278 ( 6.306 3.640 -0.439) 7.294 5.788 ( -2.796 -1.614 -2.842) 4.302 6.006 ( -0.728 -0.420 0.477) 0.966 6.682 ( -2.994 -1.729 2.817) 4.460 6.965 ( -11.941 -6.894 0.499) 13.798 7.969 ( -3.738 -2.158 -5.506) 6.996======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 3.906 2.255 -2.294) 5.060 1.691 ( 11.317 6.534 -8.371) 15.519 2.006 ( 2.277 1.315 0.157) 2.634 2.263 ( 8.083 4.667 0.835) 9.371 2.656 ( -7.406 -4.276 3.830) 9.370 3.706 ( 14.451 8.344 1.032) 16.719 5.399 ( 4.101 2.368 -0.735) 4.792 5.764 ( 1.604 0.926 -3.326) 3.807 6.020 ( 1.625 0.938 0.641) 1.983 6.556 ( -9.968 -5.755 5.291) 12.668 6.731 ( -6.440 -3.718 -3.653) 8.285 7.894 ( -1.617 -0.934 -3.150) 3.662======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 1.644 0.949 -1.074) 2.181 1.909 ( 8.773 5.065 -5.468) 11.511 2.055 ( 2.730 1.576 -1.668) 3.567 2.417 ( 4.712 2.721 0.348) 5.452 2.473 ( -9.336 -5.390 5.618) 12.156 3.952 ( 6.818 3.937 -0.043) 7.873 5.463 ( 1.688 0.974 -0.535) 2.021 5.841 ( 5.675 3.277 -2.735) 7.101 6.068 ( 1.963 1.133 0.439) 2.309 6.295 ( -11.975 -6.914 2.296) 14.017 6.637 ( -1.955 -1.129 -1.561) 2.744 7.869 ( -0.288 -0.166 -1.101) 1.150======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.132 ( -0.000 -0.000 0.000) 0.000 2.324 ( 0.000 0.000 -0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 -0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.482 ( -0.000 19.655 13.560) 23.878 0.495 ( -0.000 21.359 10.211) 23.674 0.766 ( -0.000 34.764 5.342) 35.172 1.719 ( 0.000 0.927 -2.531) 2.696 1.809 ( 0.000 9.059 -0.162) 9.060 3.028 ( -0.000 -2.819 2.508) 3.774 4.904 ( -0.000 2.926 0.275) 2.939 6.151 ( 0.000 -4.375 -1.251) 4.551 6.178 ( 0.000 -2.382 -0.283) 2.399 6.544 ( 0.000 10.839 -29.461) 31.392 7.726 ( -0.000 -9.624 3.678) 10.303 8.203 ( 0.000 1.090 -0.914) 1.422======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( 2.154 16.630 10.439) 19.753 0.846 ( 5.940 23.152 -2.253) 24.008 1.313 ( 18.482 19.951 11.168) 29.400 1.751 ( 2.954 1.824 -2.140) 4.078 1.986 ( 7.725 16.175 -1.474) 17.985 2.990 ( -1.168 -2.413 -1.275) 2.969 4.964 ( 2.552 4.346 0.506) 5.065 6.074 ( -3.023 -5.303 -0.722) 6.146 6.132 ( -1.548 -2.990 -0.311) 3.381 6.603 ( 3.836 4.556 -14.066) 15.275 7.575 ( -6.004 -10.989 4.393) 13.270 8.191 ( -1.667 -0.171 -3.370) 3.763======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( 9.602 11.325 3.305) 15.211 1.152 ( 5.717 19.746 -5.402) 21.255 1.711 ( 9.450 6.571 6.289) 13.116 1.847 ( 4.782 4.747 0.044) 6.738 2.424 ( 18.868 21.707 -1.505) 28.800 2.943 ( -0.563 -2.076 -0.475) 2.203 5.079 ( 4.609 5.744 0.529) 7.384 5.947 ( -4.985 -4.762 -1.261) 7.009 6.072 ( -2.022 -2.283 -0.102) 3.051 6.664 ( 3.241 0.837 -5.863) 6.751 7.347 ( -8.904 -10.706 4.480) 14.628 8.114 ( -4.072 -2.303 -5.290) 7.062======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 10.016 6.967 -0.827) 12.229 1.400 ( 4.996 14.983 -6.517) 17.086 1.883 ( 5.174 2.510 1.906) 6.059 2.010 ( 6.151 8.239 1.227) 10.354 2.785 ( 1.811 1.930 -4.645) 5.346 3.097 ( 16.814 13.841 5.464) 22.453 5.232 ( 5.262 6.834 0.231) 8.628 5.818 ( -4.151 -3.210 -2.228) 5.700 6.025 ( -1.506 -0.440 0.069) 1.571 6.687 ( 0.903 -1.594 -1.632) 2.454 7.086 ( -10.654 -10.058 3.304) 15.020 7.990 ( -4.294 -3.389 -5.652) 7.866======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( 6.674 4.217 -1.798) 8.097 1.599 ( 6.025 10.812 -7.053) 14.246 1.971 ( 3.034 0.857 0.401) 3.178 2.217 ( 6.260 9.622 1.116) 11.533 2.733 ( -4.155 -2.543 0.942) 4.962 3.550 ( 15.582 12.240 2.118) 19.927 5.383 ( 3.593 7.124 -0.273) 7.983 5.744 ( -0.656 -0.982 -2.855) 3.090 6.019 ( 0.147 1.480 0.271) 1.512 6.650 ( -3.027 -2.668 1.798) 4.417 6.803 ( -10.681 -8.955 -0.682) 13.955 7.887 ( -1.711 -3.290 -3.844) 5.342======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 2.570 3.201 -1.297) 4.305 1.794 ( 8.213 7.425 -6.509) 12.843 2.019 ( 2.204 0.111 -0.439) 2.250 2.391 ( 3.111 5.512 1.598) 6.528 2.621 ( -7.407 0.684 3.003) 8.022 3.863 ( 9.256 6.486 0.612) 11.319 5.487 ( 0.465 6.754 -0.585) 6.795 5.765 ( 3.950 0.891 -2.624) 4.825 6.055 ( 1.431 2.198 0.288) 2.639 6.463 ( -13.142 -5.787 3.081) 14.686 6.637 ( -1.204 -3.228 -2.932) 4.524 7.843 ( 0.803 -2.906 -1.518) 3.376======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 0.056 2.413 -0.595) 2.486 1.964 ( 5.220 2.475 -2.882) 6.455 2.064 ( 4.126 0.618 -2.956) 5.113 2.376 ( -4.802 -4.068 4.061) 7.490 2.580 ( -5.191 10.560 0.434) 11.775 4.010 ( 3.138 1.642 0.376) 3.562 5.534 ( -2.144 6.164 -0.394) 6.538 5.866 ( 6.618 -0.055 -1.542) 6.795 6.098 ( 0.850 2.076 -0.206) 2.253 6.212 ( -10.276 -2.272 1.691) 10.659 6.603 ( 0.182 -1.311 -0.898) 1.599 7.836 ( 1.669 -2.759 -0.108) 3.226======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( -1.688 1.294 0.244) 2.140 1.980 ( -2.293 -2.174 0.970) 3.306 2.086 ( -2.038 -3.818 1.368) 4.539 2.345 ( 4.191 1.878 -2.656) 5.306 2.575 ( -7.190 9.590 -0.545) 11.998 4.011 ( -3.076 -1.932 0.608) 3.683 5.536 ( -4.025 5.028 0.096) 6.441 5.879 ( -2.158 -5.630 1.165) 6.141 6.103 ( -3.056 0.534 1.003) 3.260 6.197 ( 6.846 7.466 -1.701) 10.271 6.609 ( 1.688 -0.514 0.386) 1.806 7.840 ( 1.865 -2.627 0.845) 3.331======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( -3.503 -0.713 1.299) 3.804 1.849 ( -9.064 -3.730 5.670) 11.323 2.023 ( -1.653 -2.190 0.357) 2.767 2.375 ( -4.931 -0.406 -1.701) 5.232 2.591 ( 1.967 7.937 -3.651) 8.955 3.861 ( -10.748 -4.965 0.162) 11.840 5.491 ( -5.963 2.864 0.492) 6.634 5.790 ( -2.281 -3.158 2.778) 4.784 6.054 ( -3.050 0.147 0.041) 3.053 6.431 ( 10.297 7.861 -3.985) 13.554 6.661 ( 4.631 0.025 2.263) 5.154 7.860 ( 2.775 -1.819 2.279) 4.025======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( -6.316 -4.288 2.822) 8.139 1.663 ( -11.743 -0.876 7.145) 13.774 1.966 ( -2.712 -2.325 -0.860) 3.674 2.207 ( -11.499 -0.732 -1.152) 11.580 2.719 ( 5.707 3.599 -2.271) 7.118 3.534 ( -19.480 -7.656 -1.337) 20.974 5.386 ( -8.007 0.128 0.465) 8.021 5.771 ( 1.175 -0.282 2.871) 3.115 6.016 ( -1.499 0.901 -0.286) 1.772 6.618 ( 5.436 3.389 -4.948) 8.094 6.816 ( 11.022 2.892 1.875) 11.549 7.923 ( 4.631 -0.051 4.052) 6.153======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -10.820 -7.579 3.921) 13.780 1.462 ( -15.186 2.070 7.011) 16.854 1.862 ( -5.862 -3.286 -2.664) 7.229 1.997 ( -10.264 -1.012 -1.528) 10.427 2.822 ( 1.347 1.102 3.236) 3.674 3.049 ( -23.524 -8.278 -4.924) 25.419 5.232 ( -8.634 -1.455 0.150) 8.757 5.837 ( 4.586 1.570 1.892) 5.203 6.024 ( 1.133 1.276 -0.268) 1.728 6.685 ( 2.059 0.189 -2.206) 3.023 7.066 ( 13.031 3.571 -1.062) 13.553 8.037 ( 5.691 1.357 4.496) 7.379======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( -15.070 -7.238 2.945) 16.976 1.204 ( -19.861 2.900 5.840) 20.904 1.658 ( -13.076 -4.407 -4.768) 14.599 1.842 ( -6.113 -0.642 -1.084) 6.241 2.436 ( -28.626 -5.818 0.933) 29.227 2.942 ( 3.590 0.404 -0.620) 3.666 5.076 ( -7.335 -1.265 -0.068) 7.443 5.956 ( 6.387 1.626 0.671) 6.624 6.072 ( 3.036 0.753 -0.136) 3.131 6.692 ( -0.303 -0.594 0.124) 0.678 7.320 ( 13.173 2.443 -1.363) 13.466 8.151 ( 4.218 1.074 2.808) 5.179======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( -17.089 0.000 0.000) 17.089 0.860 ( -23.181 0.000 0.000) 23.181 1.259 ( -28.466 0.000 0.000) 28.466 1.761 ( -2.955 0.000 0.000) 2.955 1.993 ( -17.705 0.000 0.000) 17.705 2.996 ( 2.205 -0.000 -0.000) 2.205 4.962 ( -5.045 0.000 0.000) 5.045 6.078 ( 6.135 -0.000 -0.000) 6.135 6.133 ( 3.395 -0.000 -0.000) 3.395 6.670 ( -1.794 0.000 0.000) 1.794 7.553 ( 12.152 -0.000 -0.000) 12.152 8.207 ( 0.999 -0.000 -0.000) 0.999======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -0.000 17.632 12.025) 21.342 0.967 ( -0.000 20.101 8.127) 21.682 1.391 ( -0.000 22.918 5.112) 23.481 1.730 ( 0.000 2.675 -4.818) 5.511 2.111 ( 0.000 22.130 -0.379) 22.133 2.964 ( 0.000 -3.484 -2.583) 4.337 4.994 ( -0.000 5.818 0.564) 5.845 6.036 ( 0.000 -6.002 -0.792) 6.054 6.111 ( 0.000 -3.733 -0.534) 3.771 6.575 ( 0.000 4.721 -13.986) 14.761 7.514 ( -0.000 -13.375 4.285) 14.045 8.197 ( 0.000 -0.768 -2.535) 2.649======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( -4.066 16.422 11.425) 20.414 1.259 ( 4.090 18.434 -0.031) 18.883 1.663 ( 6.325 9.962 5.040) 12.832 1.802 ( 5.524 5.898 -2.801) 8.552 2.431 ( 8.264 27.027 -1.523) 28.303 2.916 ( -0.022 -3.386 -2.159) 4.016 5.084 ( 2.597 7.136 0.804) 7.636 5.956 ( -2.329 -5.631 -0.671) 6.130 6.066 ( -0.588 -3.121 -0.466) 3.210 6.596 ( 2.562 1.251 -9.450) 9.870 7.353 ( -4.172 -13.409 4.185) 14.653 8.146 ( -3.277 -2.248 -3.274) 5.149======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 0.760 12.331 6.582) 13.999 1.475 ( 2.447 15.038 -3.981) 15.748 1.826 ( 4.960 3.773 1.075) 6.324 1.995 ( 6.810 9.516 1.062) 11.750 2.757 ( 2.915 5.240 -7.195) 9.366 3.013 ( 11.370 15.347 5.318) 19.827 5.228 ( 4.478 8.497 1.048) 9.662 5.846 ( -3.825 -4.129 -1.428) 5.807 6.036 ( -0.277 -1.027 -0.392) 1.134 6.619 ( 2.921 -2.076 -5.614) 6.660 7.138 ( -6.896 -12.376 3.968) 14.712 8.026 ( -5.456 -3.527 -4.151) 7.710======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 3.230 8.466 2.618) 9.432 1.629 ( 2.018 11.241 -5.140) 12.524 1.925 ( 3.370 1.156 0.265) 3.573 2.223 ( 6.359 11.485 1.413) 13.204 2.751 ( -0.395 -1.594 -1.937) 2.539 3.441 ( 13.627 16.289 2.446) 21.378 5.401 ( 4.298 9.384 0.954) 10.365 5.750 ( -2.573 -2.029 -2.059) 3.870 6.035 ( 0.119 1.611 -0.673) 1.750 6.617 ( 1.883 -3.796 -3.549) 5.527 6.893 ( -9.348 -10.627 3.219) 14.514 7.886 ( -4.237 -4.152 -3.802) 7.046======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 2.778 6.269 0.830) 6.907 1.755 ( 3.549 8.229 -4.993) 10.259 1.977 ( 2.389 -0.297 -0.208) 2.416 2.407 ( 2.634 5.609 2.406) 6.648 2.741 ( -1.770 5.480 0.417) 5.774 3.776 ( 9.532 8.923 0.853) 13.085 5.552 ( 1.802 9.125 0.469) 9.313 5.719 ( 0.946 0.075 -1.988) 2.203 6.065 ( 0.658 3.117 -0.999) 3.338 6.593 ( 0.834 -4.313 -3.660) 5.718 6.627 ( -11.298 -6.844 3.309) 13.618 7.791 ( -0.513 -4.440 -2.175) 4.971======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( 0.222 4.990 0.076) 4.995 1.889 ( 5.355 4.908 -3.855) 8.224 2.007 ( 2.175 -0.916 -0.847) 2.507 2.417 ( -2.716 -2.934 3.573) 5.362 2.805 ( -4.328 15.159 0.053) 15.765 3.958 ( 5.144 2.291 0.447) 5.649 5.644 ( -1.218 8.339 0.133) 8.428 5.766 ( 4.154 0.386 -1.327) 4.378 6.106 ( 0.932 2.942 -1.390) 3.385 6.371 ( -10.661 -4.172 1.301) 11.522 6.581 ( 0.441 -1.045 -0.961) 1.486 7.760 ( 2.236 -4.675 -0.618) 5.219======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -2.002 3.731 0.093) 4.235 1.972 ( 1.368 -0.333 -0.740) 1.591 2.038 ( 2.825 -1.704 -2.261) 4.000 2.344 ( -2.323 -1.036 1.870) 3.157 2.847 ( -8.982 15.315 -0.331) 17.758 4.014 ( 1.043 -1.715 0.764) 2.147 5.676 ( -4.099 7.140 0.067) 8.234 5.822 ( 2.595 -3.057 -0.058) 4.011 6.165 ( 3.515 3.609 -2.159) 5.481 6.207 ( -6.770 1.740 2.248) 7.343 6.582 ( 0.634 -0.357 -0.433) 0.847 7.761 ( 3.131 -4.656 0.416) 5.626======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( -4.036 1.692 0.486) 4.404 1.940 ( -3.558 -2.209 1.590) 4.479 2.019 ( -0.642 -3.200 -0.022) 3.264 2.360 ( 2.730 1.190 -2.102) 3.645 2.796 ( -11.636 11.592 -0.788) 16.443 3.961 ( -4.900 -3.348 0.780) 5.985 5.646 ( -6.308 4.700 0.323) 7.873 5.790 ( -1.282 -3.569 1.233) 3.988 6.133 ( -4.351 1.709 1.357) 4.868 6.333 ( 8.447 7.272 -2.684) 11.465 6.597 ( 2.223 -1.157 0.660) 2.592 7.779 ( 3.795 -3.802 1.380) 5.546======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -6.324 -1.092 1.143) 6.519 1.836 ( -7.045 -0.533 3.613) 7.935 1.976 ( -1.334 -2.231 -0.426) 2.634 2.368 ( -4.441 0.374 -1.571) 4.726 2.722 ( -4.587 6.047 -1.618) 7.760 3.768 ( -13.638 -3.945 0.074) 14.198 5.551 ( -8.859 2.157 0.360) 9.125 5.754 ( 0.273 -1.695 1.707) 2.421 6.080 ( -4.085 1.931 0.579) 4.555 6.540 ( 7.175 5.502 -5.169) 10.415 6.663 ( 7.765 -1.325 2.944) 8.409 7.834 ( 5.420 -1.850 2.249) 6.153======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -9.319 -2.297 1.431) 9.704 1.708 ( -9.672 1.154 3.148) 10.237 1.914 ( -3.604 -1.728 -0.964) 4.111 2.202 ( -12.827 0.304 -0.605) 12.845 2.765 ( 4.297 1.621 -0.558) 4.627 3.410 ( -23.016 -3.422 -0.718) 23.280 5.393 ( -10.301 0.169 0.127) 10.303 5.781 ( 3.180 0.013 1.131) 3.375 6.042 ( -1.955 1.141 0.060) 2.264 6.635 ( 3.173 0.742 -2.067) 3.859 6.862 ( 12.773 1.053 0.320) 12.821 7.941 ( 6.952 -0.061 1.990) 7.232======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -13.203 0.000 0.000) 13.203 1.521 ( -13.975 0.000 0.000) 13.975 1.807 ( -7.484 0.000 0.000) 7.484 1.986 ( -10.981 0.000 0.000) 10.981 2.863 ( 5.347 -0.000 -0.000) 5.347 2.926 ( -29.426 0.000 0.000) 29.426 5.218 ( -9.511 0.000 0.000) 9.511 5.861 ( 5.403 -0.000 -0.000) 5.403 6.039 ( 0.952 -0.000 -0.000) 0.952 6.677 ( 1.655 -0.000 -0.000) 1.655 7.097 ( 13.458 -0.000 -0.000) 13.458 8.066 ( 6.522 -0.000 -0.000) 6.522======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( -0.000 11.088 8.331) 13.869 1.380 ( -0.000 16.882 4.744) 17.535 1.742 ( -0.000 10.815 4.415) 11.682 1.794 ( 0.000 7.734 -5.006) 9.213 2.631 ( 0.000 25.130 -4.873) 25.598 2.880 ( -0.000 -0.450 0.378) 0.588 5.137 ( -0.000 7.802 0.680) 7.832 5.921 ( -0.000 -4.803 0.028) 4.803 6.035 ( 0.000 -3.250 -0.590) 3.303 6.552 ( 0.000 -0.211 -9.056) 9.058 7.259 ( -0.000 -14.134 3.343) 14.524 8.144 ( 0.000 -2.893 -2.281) 3.684======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( -3.189 8.688 6.175) 11.126 1.573 ( 1.951 13.147 -0.193) 13.292 1.825 ( 0.586 6.747 0.520) 6.792 1.970 ( 7.320 10.419 0.425) 12.740 2.727 ( 0.803 -1.716 -7.963) 8.185 3.068 ( 5.961 23.637 4.620) 24.811 5.248 ( 3.271 8.353 0.866) 9.012 5.859 ( -2.350 -3.399 -0.395) 4.151 6.013 ( 0.830 -1.542 -0.412) 1.799 6.532 ( 1.887 -2.749 -6.864) 7.631 7.102 ( -2.933 -13.407 2.759) 13.999 8.069 ( -4.072 -3.527 -2.387) 5.892======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( -0.341 7.194 3.920) 8.199 1.703 ( 0.574 10.068 -3.405) 10.644 1.897 ( 1.604 2.776 0.367) 3.226 2.220 ( 7.792 11.448 1.361) 13.914 2.701 ( 2.379 -3.301 -3.304) 5.241 3.438 ( 8.337 20.268 2.317) 22.037 5.416 ( 5.277 9.040 1.327) 10.551 5.779 ( -3.297 -1.645 -1.192) 3.872 6.031 ( 1.577 1.019 -0.920) 2.090 6.516 ( 2.680 -4.764 -4.826) 7.292 6.914 ( -5.028 -11.616 2.476) 12.897 7.931 ( -6.230 -3.764 -2.648) 7.745======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 1.743 6.750 2.792) 7.510 1.786 ( 0.751 7.239 -4.204) 8.405 1.939 ( 1.580 0.298 0.073) 1.609 2.415 ( 3.012 4.156 2.624) 5.765 2.771 ( 5.766 6.427 -0.764) 8.668 3.738 ( 6.517 11.845 0.783) 13.542 5.596 ( 3.934 8.574 1.440) 9.543 5.723 ( -1.477 0.534 -1.192) 1.972 6.074 ( 1.416 2.680 -2.318) 3.816 6.502 ( 2.811 -5.004 -3.366) 6.654 6.718 ( -6.671 -8.343 2.500) 10.971 7.785 ( -4.715 -3.908 -2.308) 6.545======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 0.875 6.413 1.682) 6.687 1.861 ( 2.497 4.593 -3.081) 6.068 1.962 ( 1.533 -0.873 -0.128) 1.769 2.434 ( -1.212 -2.505 3.015) 4.103 2.982 ( 3.413 16.067 -0.034) 16.426 3.899 ( 3.753 2.805 0.085) 4.686 5.698 ( 1.531 3.038 0.408) 3.426 5.755 ( 0.727 5.581 0.029) 5.628 6.106 ( 0.866 1.156 -3.461) 3.750 6.469 ( -3.286 -3.187 -0.930) 4.671 6.575 ( -1.962 -2.037 1.566) 3.233 7.689 ( -0.743 -4.550 -1.381) 4.813======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -1.762 5.593 0.779) 5.915 1.935 ( 2.748 1.178 -1.756) 3.467 1.975 ( 1.639 -1.693 -0.624) 2.437 2.379 ( -2.468 -2.065 2.179) 3.886 3.149 ( -5.121 18.182 -0.181) 18.890 3.947 ( 3.193 -3.814 0.367) 4.988 5.758 ( 2.582 0.002 0.302) 2.600 5.795 ( -2.136 5.375 0.315) 5.793 6.116 ( 2.370 -1.594 -3.083) 4.203 6.367 ( -6.717 3.778 1.844) 7.925 6.576 ( 0.400 0.489 -0.486) 0.797 7.656 ( 2.595 -5.090 -0.334) 5.724======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -4.390 3.672 0.522) 5.747 1.954 ( -0.066 -0.986 -0.103) 0.994 1.978 ( 1.280 -2.827 -1.123) 3.300 2.347 ( -0.324 0.329 0.337) 0.572 3.145 ( -13.360 13.283 -0.452) 18.845 3.953 ( 1.886 -4.419 0.735) 4.861 5.744 ( -1.846 -1.401 -0.244) 2.330 5.813 ( -2.534 2.939 1.147) 4.046 6.156 ( 4.107 -1.193 -1.097) 4.415 6.347 ( -2.795 8.390 1.045) 8.905 6.570 ( -0.332 -1.134 -0.819) 1.438 7.669 ( 4.230 -4.191 0.501) 5.976======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( -6.567 0.779 0.313) 6.620 1.922 ( -2.848 -0.351 0.999) 3.039 1.964 ( 0.281 -1.810 -0.564) 1.916 2.368 ( 1.730 0.429 -0.792) 1.951 2.977 ( -15.449 5.493 -0.374) 16.401 3.903 ( -4.916 -2.093 0.377) 5.356 5.693 ( -3.868 0.134 0.268) 3.880 5.764 ( -3.878 0.043 0.494) 3.910 6.174 ( -2.774 1.222 0.672) 3.104 6.454 ( 6.383 5.978 -2.017) 8.975 6.559 ( 2.318 -3.212 0.829) 4.046 7.723 ( 5.393 -1.928 0.775) 5.779======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( -7.765 0.000 0.000) 7.765 1.849 ( -5.811 0.000 0.000) 5.811 1.946 ( -1.316 0.000 0.000) 1.316 2.367 ( -4.059 0.000 0.000) 4.059 2.783 ( -7.318 0.000 0.000) 7.318 3.725 ( -14.652 0.000 0.000) 14.652 5.573 ( -9.634 0.000 0.000) 9.634 5.742 ( 1.125 -0.000 -0.000) 1.125 6.108 ( -4.594 0.000 0.000) 4.594 6.582 ( 3.096 -0.000 -0.000) 3.096 6.654 ( 11.544 -0.000 -0.000) 11.544 7.821 ( 6.698 -0.000 -0.000) 6.698======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -0.000 2.827 1.400) 3.154 1.684 ( -0.000 11.698 0.439) 11.706 1.917 ( -0.000 4.999 1.943) 5.363 1.995 ( 0.000 13.050 -1.082) 13.094 2.655 ( 0.000 -6.001 -5.595) 8.205 3.285 ( -0.000 25.579 3.411) 25.805 5.295 ( -0.000 7.040 0.196) 7.043 5.855 ( 0.000 -1.684 -0.099) 1.687 5.991 ( 0.000 -0.419 -0.105) 0.432 6.463 ( 0.000 -3.895 -5.616) 6.834 6.999 ( -0.000 -13.020 1.398) 13.095 8.065 ( 0.000 -3.569 -1.532) 3.884======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 0.582 2.361 0.352) 2.457 1.783 ( -0.075 8.375 -2.595) 8.768 1.932 ( -1.542 2.914 -0.164) 3.301 2.201 ( 7.347 11.660 0.584) 13.794 2.599 ( 2.370 -5.814 -1.699) 6.504 3.562 ( 2.922 21.378 2.264) 21.695 5.403 ( 4.941 6.221 0.186) 7.946 5.820 ( -2.633 -0.277 -0.962) 2.816 6.012 ( 1.471 1.681 -0.080) 2.235 6.418 ( 1.375 -4.884 -3.485) 6.156 6.861 ( -1.926 -11.485 0.527) 11.657 7.987 ( -4.377 -3.302 -1.414) 5.662======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 2.906 3.403 1.090) 4.606 1.834 ( -0.265 5.142 -4.773) 7.021 1.936 ( -0.211 1.111 0.264) 1.161 2.408 ( 3.371 4.276 2.719) 6.087 2.666 ( 10.338 2.653 -0.493) 10.684 3.797 ( 2.387 14.160 1.035) 14.397 5.579 ( 7.256 6.165 0.754) 9.552 5.767 ( -2.918 0.975 -1.197) 3.301 6.062 ( 1.669 2.505 -1.674) 3.444 6.394 ( 2.559 -4.878 -1.437) 5.693 6.715 ( -2.984 -8.872 0.257) 9.364 7.852 ( -6.725 -2.710 -1.486) 7.401======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 3.704 4.444 1.638) 6.012 1.863 ( 0.763 2.745 -3.423) 4.453 1.945 ( 0.155 0.392 0.344) 0.544 2.434 ( -0.582 -1.817 2.931) 3.497 2.967 ( 13.816 10.753 -0.045) 17.508 3.915 ( -0.757 5.744 0.085) 5.794 5.715 ( 0.224 2.852 0.410) 2.890 5.777 ( 3.216 4.567 0.218) 5.590 6.085 ( 0.139 -0.299 -3.809) 3.824 6.419 ( 4.657 -1.529 0.149) 4.904 6.593 ( -2.791 -4.967 0.635) 5.733 7.708 ( -5.912 -2.534 -1.370) 6.577======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 1.419 5.130 1.030) 5.421 1.893 ( 1.642 -0.078 -1.334) 2.117 1.950 ( 0.248 -0.201 0.068) 0.327 2.400 ( -1.654 -1.772 1.765) 2.998 3.304 ( 9.122 14.587 0.273) 17.207 3.888 ( -3.085 -3.435 -0.261) 4.625 5.741 ( 0.647 1.671 0.627) 1.899 5.861 ( 0.361 4.141 0.588) 4.198 6.048 ( 0.337 -3.914 -3.457) 5.233 6.481 ( -0.955 3.077 0.350) 3.240 6.553 ( 2.323 -0.885 0.741) 2.594 7.602 ( -2.289 -3.131 -0.870) 3.975======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( -3.260 4.382 0.697) 5.506 1.906 ( 2.384 -2.655 -0.870) 3.673 1.951 ( 0.203 -0.359 -0.041) 0.414 2.364 ( -1.355 -0.412 0.610) 1.542 3.489 ( -9.042 14.431 -0.123) 17.030 3.812 ( 5.908 -9.008 0.211) 10.774 5.751 ( -0.816 -0.382 0.072) 0.904 5.887 ( -1.886 3.057 0.950) 3.715 6.042 ( 4.869 -2.896 -1.774) 5.936 6.484 ( -2.443 4.752 1.436) 5.533 6.574 ( -1.115 -0.637 -0.956) 1.600 7.572 ( 2.328 -2.533 -0.136) 3.443======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -6.239 0.000 0.000) 6.239 1.931 ( 1.917 -0.000 -0.000) 1.917 1.948 ( -0.496 0.000 0.000) 0.496 2.352 ( 0.078 -0.000 -0.000) 0.078 3.297 ( -17.045 0.000 0.000) 17.045 3.894 ( 4.431 -0.000 -0.000) 4.431 5.723 ( -1.505 0.000 0.000) 1.505 5.852 ( -4.069 0.000 0.000) 4.069 6.137 ( 6.322 -0.000 -0.000) 6.322 6.490 ( -4.464 0.000 0.000) 4.464 6.512 ( 0.502 -0.000 -0.000) 0.502 7.624 ( 4.763 -0.000 -0.000) 4.763======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 0.000 0.509 -1.538) 1.620 1.846 ( 0.000 5.333 -4.804) 7.178 1.961 ( 0.000 -0.008 -2.257) 2.257 2.243 ( -0.000 11.031 0.388) 11.037 2.521 ( -0.000 -5.305 2.451) 5.844 3.749 ( -0.000 18.457 1.895) 18.554 5.399 ( 0.000 3.413 -0.733) 3.490 5.843 ( 0.000 0.686 -2.036) 2.148 6.025 ( -0.000 3.292 0.751) 3.377 6.354 ( 0.000 -4.402 -0.736) 4.463 6.766 ( 0.000 -10.120 -0.969) 10.166 7.992 ( 0.000 -2.856 -0.804) 2.967======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 2.975 0.850 -0.951) 3.237 1.852 ( 0.011 0.822 -7.843) 7.886 1.954 ( -0.365 0.897 0.170) 0.984 2.403 ( 4.430 6.705 1.590) 8.193 2.521 ( 5.547 -1.569 2.675) 6.355 3.919 ( 0.347 12.993 1.139) 13.048 5.488 ( 7.047 2.541 -0.581) 7.513 5.822 ( -2.344 1.043 -2.425) 3.530 6.070 ( 0.576 3.525 0.063) 3.572 6.322 ( 0.756 -3.556 1.408) 3.899 6.662 ( -1.034 -7.775 -1.606) 8.006 7.926 ( -4.340 -2.077 -0.671) 4.858======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 5.558 1.745 0.459) 5.843 1.849 ( 1.661 0.056 -4.815) 5.094 1.957 ( -0.507 0.814 0.343) 1.019 2.443 ( -0.867 -0.639 3.055) 3.239 2.767 ( 16.439 5.089 -0.002) 17.209 4.011 ( -1.861 6.829 0.421) 7.091 5.668 ( 9.489 2.645 0.148) 9.852 5.786 ( -1.916 1.233 -1.580) 2.773 6.091 ( -1.235 1.115 -1.570) 2.288 6.328 ( 3.141 -1.904 2.040) 4.201 6.575 ( -1.036 -4.476 -1.209) 4.750 7.807 ( -6.981 -1.218 -0.675) 7.118======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 5.680 1.685 0.524) 5.948 1.873 ( 1.376 0.316 -1.282) 1.907 1.953 ( -0.506 0.130 0.065) 0.527 2.419 ( -1.579 -0.763 1.325) 2.197 3.130 ( 19.066 4.566 0.055) 19.606 3.982 ( -6.463 1.374 -0.025) 6.608 5.762 ( -0.676 1.479 0.315) 1.656 5.841 ( 5.847 1.481 -0.261) 6.037 6.040 ( -3.407 -1.397 -1.527) 3.986 6.419 ( 7.534 0.041 0.728) 7.570 6.534 ( -0.411 -1.074 -0.161) 1.161 7.669 ( -7.070 -0.834 -0.494) 7.136======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 4.702 -0.000 -0.000) 4.702 1.871 ( -1.787 0.000 0.000) 1.787 1.948 ( -0.041 0.000 0.000) 0.041 2.388 ( -1.599 0.000 0.000) 1.599 3.485 ( 17.734 -0.000 -0.000) 17.734 3.820 ( -11.968 0.000 0.000) 11.968 5.762 ( -0.372 0.000 0.000) 0.372 5.934 ( 4.418 -0.000 -0.000) 4.418 5.960 ( -3.667 0.000 0.000) 3.667 6.525 ( -0.499 0.000 0.000) 0.499 6.546 ( 5.074 -0.000 -0.000) 5.074 7.566 ( -3.366 0.000 0.000) 3.366======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 0.000 0.064 -1.389) 1.391 1.808 ( 0.000 -2.715 -8.525) 8.947 1.969 ( -0.000 1.165 0.474) 1.258 2.419 ( -0.000 6.026 0.334) 6.035 2.477 ( -0.000 -1.845 4.335) 4.711 4.032 ( -0.000 8.999 0.766) 9.031 5.432 ( 0.000 0.826 -0.821) 1.165 5.843 ( 0.000 0.617 -3.048) 3.110 6.105 ( -0.000 3.394 0.791) 3.485 6.298 ( -0.000 -1.928 3.028) 3.590 6.596 ( 0.000 -5.630 -2.299) 6.082 7.945 ( 0.000 -1.483 -0.296) 1.512======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 4.459 0.361 -0.321) 4.485 1.784 ( 2.407 -1.622 -4.262) 5.156 1.975 ( -0.465 0.589 0.228) 0.785 2.464 ( -0.782 -0.030 2.046) 2.191 2.561 ( 10.323 2.240 0.301) 10.567 4.094 ( -0.890 4.176 0.313) 4.282 5.513 ( 8.325 0.551 -0.360) 8.351 5.823 ( -1.683 0.384 -1.624) 2.370 6.126 ( -1.012 1.560 0.051) 1.860 6.294 ( 0.357 -0.820 2.167) 2.344 6.544 ( -0.239 -2.746 -1.473) 3.126 7.896 ( -4.185 -0.666 -0.185) 4.242======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 6.421 -0.000 -0.000) 6.421 1.826 ( 3.441 -0.000 -0.000) 3.441 1.967 ( -0.788 0.000 0.000) 0.788 2.445 ( -1.488 0.000 0.000) 1.488 2.821 ( 17.582 -0.000 -0.000) 17.582 4.079 ( -3.358 0.000 0.000) 3.358 5.694 ( 10.848 -0.000 -0.000) 10.848 5.792 ( -1.700 0.000 0.000) 1.700 6.096 ( -3.133 0.000 0.000) 3.133 6.319 ( 3.251 -0.000 -0.000) 3.251 6.528 ( 0.102 -0.000 -0.000) 0.102 7.793 ( -7.051 0.000 0.000) 7.051======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( -0.000 0.000 0.000) 0.000 1.743 ( -0.000 0.000 0.000) 0.000 1.983 ( -0.000 0.000 0.000) 0.000 2.474 ( -0.000 0.000 0.000) 0.000 2.481 ( -0.000 0.000 0.000) 0.000 4.123 ( -0.000 0.000 0.000) 0.000 5.436 ( -0.000 0.000 0.000) 0.000 5.838 ( -0.000 0.000 0.000) 0.000 6.144 ( -0.000 0.000 0.000) 0.000 6.294 ( -0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 -0.000) 0.000 7.930 ( -0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.205 ( -0.000 0.000 22.644) 22.644 0.205 ( -0.000 0.000 22.644) 22.644 0.371 ( -0.000 0.000 41.201) 41.201 1.708 ( 0.000 -0.000 -1.998) 1.998 1.708 ( 0.000 -0.000 -1.998) 1.998 3.538 ( 0.000 -0.000 -5.532) 5.532 4.876 ( -0.000 0.000 0.561) 0.561 4.876 ( -0.000 0.000 0.561) 0.561 6.202 ( 0.000 -0.000 -0.298) 0.298 6.202 ( 0.000 -0.000 -0.298) 0.298 7.825 ( -0.000 0.000 0.942) 0.942 8.248 ( 0.000 -0.000 -0.291) 0.291======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( 13.798 7.966 6.352) 17.152 0.459 ( 11.638 6.719 14.161) 19.522 0.981 ( 28.670 16.553 21.704) 39.586 1.729 ( 1.768 1.021 -1.367) 2.457 1.775 ( 6.916 3.993 -3.977) 8.921 3.045 ( -5.531 -3.193 2.812) 6.978 4.908 ( 2.537 1.464 0.764) 3.027 6.151 ( -3.514 -2.029 -1.355) 4.278 6.177 ( -1.979 -1.143 -0.309) 2.307 6.326 ( 24.807 14.323 -41.348) 50.301 7.755 ( -7.598 -4.387 4.716) 9.961 8.180 ( -1.323 -0.764 -2.303) 2.764======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( 15.099 8.718 0.445) 17.441 0.784 ( 13.622 7.864 3.239) 16.059 1.582 ( 15.854 9.153 12.377) 22.098 1.786 ( 3.547 2.048 -0.575) 4.136 2.066 ( 21.028 12.141 -2.821) 24.445 2.970 ( -1.835 -1.060 -2.438) 3.231 4.996 ( 4.803 2.773 0.697) 5.589 6.030 ( -6.125 -3.536 -1.099) 7.157 6.116 ( -3.033 -1.751 -0.252) 3.512 6.577 ( 8.320 4.804 -14.063) 17.031 7.544 ( -11.435 -6.602 6.290) 14.625 8.129 ( -2.596 -1.499 -6.368) 7.038======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 12.380 7.148 -1.691) 14.395 1.093 ( 13.038 7.527 -3.180) 15.387 1.831 ( 6.287 3.630 3.561) 8.086 1.896 ( 6.195 3.577 0.290) 7.160 2.608 ( 20.480 11.824 -2.690) 23.801 2.967 ( 4.307 2.487 2.181) 5.431 5.128 ( 6.296 3.635 0.326) 7.277 5.880 ( -5.987 -3.457 -1.888) 7.167 6.048 ( -2.551 -1.473 -0.055) 2.946 6.678 ( 3.028 1.748 -5.019) 6.117 7.278 ( -12.973 -7.490 5.392) 15.921 8.025 ( -4.145 -2.393 -7.104) 8.566======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 7.826 4.518 -2.404) 9.351 1.368 ( 12.121 6.998 -6.614) 15.480 1.945 ( 3.412 1.970 0.804) 4.021 2.071 ( 8.516 4.917 0.750) 9.862 2.769 ( -1.020 -0.589 -1.896) 2.232 3.319 ( 19.407 11.205 4.024) 22.768 5.275 ( 6.067 3.503 -0.263) 7.010 5.763 ( -3.111 -1.796 -2.603) 4.436 6.010 ( -0.563 -0.325 0.334) 0.731 6.689 ( -1.135 -0.655 -1.240) 1.804 6.978 ( -13.966 -8.063 2.209) 16.277 7.921 ( -2.841 -1.640 -5.049) 6.021======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 4.256 2.457 -2.127) 5.355 1.618 ( 11.489 6.633 -7.586) 15.282 2.006 ( 1.969 1.137 -0.157) 2.279 2.270 ( 7.946 4.587 0.644) 9.197 2.684 ( -6.001 -3.465 2.394) 7.331 3.718 ( 13.714 7.918 1.671) 15.924 5.392 ( 4.026 2.324 -0.800) 4.717 5.736 ( 1.580 0.912 -2.768) 3.314 6.026 ( 1.670 0.964 0.758) 2.072 6.600 ( -10.152 -5.861 4.522) 12.564 6.691 ( -6.498 -3.751 -5.016) 9.025 7.871 ( -0.747 -0.431 -1.983) 2.163======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( 2.069 1.194 -1.439) 2.789 1.852 ( 10.396 6.002 -6.917) 13.855 2.042 ( 1.535 0.886 -1.258) 2.173 2.420 ( 4.577 2.642 0.376) 5.298 2.519 ( -8.847 -5.108 4.533) 11.177 3.956 ( 6.592 3.806 0.896) 7.664 5.456 ( 1.853 1.070 -0.882) 2.314 5.817 ( 5.918 3.417 -2.395) 7.241 6.074 ( 1.814 1.047 0.853) 2.262 6.313 ( -12.401 -7.159 1.875) 14.441 6.621 ( -1.110 -0.641 -2.057) 2.423 7.863 ( 0.120 0.069 -0.099) 0.170======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 0.470 0.271 -0.583) 0.796 1.996 ( 1.419 0.819 -1.194) 2.027 2.106 ( 4.565 2.636 -5.200) 7.404 2.343 ( -5.183 -2.993 3.677) 7.024 2.473 ( -0.134 -0.078 0.107) 0.188 4.034 ( -0.034 -0.019 1.077) 1.077 5.478 ( 0.286 0.165 -0.508) 0.606 5.954 ( 2.589 1.495 -1.677) 3.427 6.097 ( -0.251 -0.145 0.571) 0.640 6.107 ( -2.212 -1.277 2.004) 3.246 6.611 ( 0.592 0.342 -0.595) 0.906 7.869 ( 0.231 0.133 0.798) 0.842======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -1.100 -0.635 0.491) 1.361 1.947 ( -5.966 -3.444 2.877) 7.465 2.071 ( -3.933 -2.271 1.706) 4.852 2.414 ( -4.893 -2.825 -0.242) 5.655 2.421 ( 9.000 5.196 -5.457) 11.739 3.956 ( -7.134 -4.119 0.995) 8.298 5.465 ( -1.428 -0.825 0.066) 1.651 5.865 ( -5.111 -2.951 2.626) 6.459 6.067 ( -2.209 -1.275 0.077) 2.551 6.273 ( 10.960 6.328 -2.364) 12.874 6.648 ( 2.764 1.596 0.784) 3.286 7.882 ( 0.772 0.446 1.869) 2.071======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( -3.241 -1.871 2.009) 4.247 1.764 ( -10.363 -5.983 7.628) 14.191 2.004 ( -2.777 -1.603 -0.189) 3.212 2.256 ( -8.360 -4.827 -0.861) 9.692 2.617 ( 8.629 4.982 -4.917) 11.111 3.701 ( -15.239 -8.798 -0.116) 17.596 5.405 ( -4.034 -2.329 0.516) 4.687 5.794 ( -1.622 -0.937 3.408) 3.889 6.015 ( -1.724 -0.996 -0.389) 2.029 6.506 ( 9.225 5.326 -5.735) 12.098 6.757 ( 6.676 3.854 2.220) 8.022 7.925 ( 2.410 1.391 3.591) 4.543======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( -7.063 -4.078 4.277) 9.209 1.524 ( -12.746 -7.359 9.531) 17.535 1.918 ( -4.808 -2.776 -1.813) 5.841 2.046 ( -8.778 -5.068 -1.950) 10.322 2.778 ( 6.042 3.488 -1.513) 7.139 3.257 ( -22.495 -12.987 -2.137) 26.063 5.283 ( -6.446 -3.721 0.531) 7.462 5.813 ( 2.384 1.377 2.671) 3.836 6.002 ( 0.795 0.459 -0.528) 1.060 6.642 ( 4.306 2.486 -5.770) 7.617 6.967 ( 10.535 6.082 0.731) 12.186 8.016 ( 4.223 2.438 4.749) 6.807======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -12.569 -7.257 6.918) 16.078 1.229 ( -15.379 -8.879 10.181) 20.470 1.751 ( -9.592 -5.538 -4.151) 11.829 1.867 ( -5.714 -3.299 -2.944) 7.224 2.655 ( -25.715 -14.846 1.730) 29.743 2.912 ( 3.496 2.018 -3.405) 5.281 5.128 ( -6.684 -3.859 0.280) 7.724 5.910 ( 5.128 2.961 1.219) 6.045 6.044 ( 2.789 1.610 -0.425) 3.248 6.685 ( 0.998 0.576 -4.423) 4.570 7.225 ( 11.471 6.623 -0.164) 13.246 8.130 ( 4.043 2.334 3.786) 6.011======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( -16.285 -9.402 9.415) 21.030 0.878 ( -17.493 -10.100 10.595) 22.809 1.396 ( -21.280 -12.286 -5.483) 25.176 1.765 ( -2.620 -1.513 -2.969) 4.239 2.108 ( -19.158 -11.061 1.162) 22.152 2.980 ( 2.455 1.417 -1.007) 3.008 4.991 ( -5.007 -2.891 0.145) 5.783 6.040 ( 5.600 3.233 -0.088) 6.467 6.115 ( 3.185 1.839 -0.318) 3.691 6.668 ( -1.263 -0.729 -5.817) 5.997 7.488 ( 11.030 6.368 1.120) 12.786 8.204 ( 1.423 0.821 1.064) 1.957======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( -0.000 22.058 6.888) 23.109 0.621 ( -0.000 17.276 16.835) 24.122 0.919 ( -0.000 24.161 25.593) 35.196 1.687 ( 0.000 0.412 -4.534) 4.553 1.799 ( 0.000 9.658 -2.141) 9.892 3.053 ( -0.000 -8.372 2.114) 8.635 4.909 ( -0.000 2.885 0.764) 2.984 6.101 ( 0.000 9.676 -18.118) 20.540 6.174 ( 0.000 -2.417 -0.523) 2.473 6.236 ( 0.000 20.753 -24.694) 32.257 7.765 ( -0.000 -8.651 4.321) 9.670 8.188 ( 0.000 -0.849 -2.086) 2.252======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( -2.428 15.983 16.182) 22.874 0.837 ( 3.658 22.012 1.229) 22.348 1.441 ( 17.558 15.259 16.317) 28.414 1.723 ( 4.539 1.347 -4.203) 6.330 1.968 ( 7.055 17.331 -2.594) 18.891 2.970 ( -1.520 -3.308 -3.250) 4.880 4.970 ( 2.572 4.316 0.913) 5.106 6.065 ( -2.744 -5.151 -1.445) 6.012 6.128 ( -1.379 -2.937 -0.614) 3.303 6.442 ( 8.180 11.564 -20.353) 24.797 7.624 ( -5.751 -11.388 6.047) 14.119 8.151 ( -2.622 -0.076 -5.186) 5.811======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( 4.744 11.976 8.927) 15.672 1.114 ( 4.669 18.730 -2.623) 19.481 1.758 ( 7.312 3.784 3.444) 8.924 1.847 ( 5.858 5.507 0.444) 8.052 2.412 ( 18.330 20.722 -1.088) 27.687 2.933 ( 1.478 -0.409 -1.737) 2.317 5.086 ( 4.428 5.810 0.881) 7.357 5.934 ( -5.274 -4.850 -1.570) 7.335 6.070 ( -1.897 -2.279 -0.340) 2.985 6.594 ( 6.147 2.967 -9.449) 11.657 7.396 ( -9.072 -11.443 6.165) 15.851 8.059 ( -4.691 -1.585 -6.676) 8.312======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 7.001 7.884 2.720) 10.889 1.348 ( 4.342 14.589 -4.820) 15.966 1.895 ( 4.864 1.915 0.638) 5.266 2.018 ( 6.118 8.452 0.612) 10.452 2.743 ( 3.828 2.956 -4.668) 6.722 3.143 ( 16.148 13.058 4.647) 21.281 5.236 ( 4.876 6.985 0.554) 8.536 5.798 ( -4.474 -3.296 -2.145) 5.957 6.025 ( -1.301 -0.529 -0.181) 1.416 6.658 ( 2.678 -1.095 -4.668) 5.492 7.122 ( -11.698 -10.730 4.537) 16.510 7.938 ( -3.972 -2.534 -5.693) 7.390======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 5.557 5.069 -0.126) 7.522 1.540 ( 5.423 11.139 -5.945) 13.742 1.973 ( 2.849 0.671 -0.111) 2.929 2.226 ( 6.203 9.879 0.776) 11.691 2.736 ( -2.399 -1.802 -0.241) 3.010 3.570 ( 14.889 11.469 2.372) 18.943 5.381 ( 3.141 7.313 -0.044) 7.959 5.721 ( -0.825 -0.914 -2.350) 2.653 6.021 ( 0.463 1.235 0.154) 1.328 6.647 ( -0.178 -2.434 -2.572) 3.546 6.807 ( -13.698 -9.427 1.562) 16.701 7.857 ( -0.800 -2.690 -2.791) 3.958======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 2.281 3.781 -0.915) 4.509 1.736 ( 7.994 8.331 -6.195) 13.103 2.015 ( 1.884 -0.039 -0.635) 1.988 2.403 ( 3.227 6.765 1.269) 7.602 2.643 ( -6.640 -0.313 1.913) 6.917 3.871 ( 9.010 6.159 1.228) 10.983 5.481 ( 0.227 6.987 -0.568) 7.014 5.744 ( 3.981 1.185 -2.048) 4.631 6.059 ( 1.652 1.745 0.482) 2.451 6.484 ( -13.847 -6.643 1.411) 15.422 6.611 ( -0.230 -2.132 -2.686) 3.437 7.834 ( 1.436 -2.702 -0.453) 3.093======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 0.164 2.830 -0.783) 2.941 1.927 ( 7.377 4.540 -5.099) 10.051 2.040 ( 2.107 -0.024 -2.322) 3.135 2.413 ( -4.527 -4.164 3.860) 7.261 2.583 ( -5.515 9.879 0.221) 11.317 4.018 ( 3.172 1.554 1.267) 3.753 5.529 ( -2.105 6.442 -0.606) 6.804 5.852 ( 6.780 0.626 -1.673) 7.011 6.099 ( 0.922 1.363 0.427) 1.700 6.227 ( -10.080 -2.388 1.696) 10.497 6.593 ( 0.641 -0.882 -1.290) 1.689 7.838 ( 1.982 -2.725 0.626) 3.427======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( -1.345 1.621 -0.159) 2.113 1.984 ( -0.948 -1.420 -0.091) 1.709 2.080 ( 1.220 -2.264 -2.803) 3.804 2.335 ( 0.616 0.429 0.560) 0.937 2.570 ( -7.627 9.225 -0.551) 11.982 4.021 ( -3.159 -2.068 1.463) 4.050 5.535 ( -3.857 5.301 -0.214) 6.559 5.886 ( -0.808 -5.096 0.463) 5.180 6.115 ( -4.031 0.539 1.491) 4.332 6.183 ( 6.389 6.576 -1.112) 9.236 6.610 ( 2.267 -0.151 -0.224) 2.283 7.850 ( 2.240 -2.525 1.382) 3.648======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( -2.879 -0.418 0.967) 3.066 1.892 ( -6.976 -3.516 3.806) 8.690 2.025 ( -1.994 -2.724 0.018) 3.375 2.362 ( -3.577 -0.623 -1.246) 3.839 2.557 ( 0.111 8.821 -3.610) 9.531 3.866 ( -11.225 -5.260 0.918) 12.431 5.495 ( -5.835 3.003 0.299) 6.569 5.814 ( -1.667 -3.387 2.452) 4.501 6.056 ( -3.554 0.266 0.401) 3.587 6.393 ( 9.027 7.076 -4.252) 12.232 6.677 ( 5.459 0.636 1.276) 5.642 7.882 ( 3.451 -1.676 2.516) 4.587======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -5.294 -4.105 3.090) 7.378 1.724 ( -10.596 -2.053 6.116) 12.405 1.956 ( -3.206 -2.633 -1.161) 4.308 2.198 ( -11.813 -0.679 -0.780) 11.859 2.693 ( 6.626 4.790 -3.481) 8.886 3.527 ( -20.332 -7.927 -0.199) 21.824 5.391 ( -8.019 0.044 0.571) 8.040 5.795 ( 1.208 -0.810 2.425) 2.828 6.014 ( -1.726 1.048 -0.203) 2.030 6.567 ( 5.811 4.248 -6.183) 9.490 6.833 ( 10.123 2.437 1.711) 10.552 7.957 ( 5.308 -0.299 3.370) 6.295======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -9.765 -8.758 6.021) 14.433 1.521 ( -14.229 0.157 5.849) 15.385 1.839 ( -6.691 -3.221 -2.247) 7.758 1.983 ( -10.827 -0.480 -1.505) 10.942 2.833 ( 5.836 2.612 -1.510) 6.569 3.019 ( -27.531 -8.838 -1.038) 28.933 5.235 ( -8.727 -1.609 0.510) 8.889 5.851 ( 4.338 0.982 1.245) 4.618 6.021 ( 1.088 1.424 -0.382) 1.832 6.650 ( 2.581 1.774 -5.309) 6.164 7.066 ( 12.468 3.277 0.952) 12.926 8.068 ( 5.906 0.369 2.471) 6.413======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( -14.075 -10.488 8.161) 19.357 1.247 ( -18.951 -1.206 3.150) 19.249 1.636 ( -13.904 -2.023 0.322) 14.055 1.827 ( -6.461 0.564 -2.329) 6.891 2.439 ( -28.435 -6.236 -0.245) 29.112 2.933 ( 3.960 1.224 -1.484) 4.403 5.078 ( -7.405 -1.336 0.410) 7.536 5.959 ( 6.186 1.232 -0.039) 6.308 6.070 ( 3.040 0.912 -0.332) 3.192 6.666 ( -0.377 0.904 -5.715) 5.798 7.324 ( 13.179 2.619 1.993) 13.584 8.163 ( 4.068 -0.389 -0.306) 4.098======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( -0.000 20.064 4.694) 20.606 1.050 ( -0.000 15.949 13.149) 20.671 1.485 ( -0.000 17.791 14.689) 23.072 1.678 ( 0.000 2.482 -6.673) 7.120 2.102 ( 0.000 22.512 -1.621) 22.571 2.933 ( 0.000 -3.876 -4.496) 5.936 5.001 ( -0.000 5.788 0.874) 5.854 6.026 ( 0.000 -5.223 -1.366) 5.399 6.106 ( 0.000 -3.752 -0.647) 3.807 6.433 ( 0.000 10.131 -16.685) 19.519 7.559 ( -0.000 -14.007 5.523) 15.057 8.162 ( 0.000 -0.224 -5.026) 5.031======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -4.538 14.126 12.451) 19.370 1.256 ( 1.172 18.567 -0.189) 18.605 1.700 ( 4.281 5.357 1.023) 6.933 1.792 ( 7.986 8.032 2.082) 11.516 2.413 ( 7.862 25.258 -2.279) 26.552 2.894 ( 1.139 -1.102 -2.686) 3.118 5.092 ( 2.710 7.135 1.034) 7.702 5.948 ( -2.651 -5.368 -1.062) 6.081 6.061 ( -0.484 -3.101 -0.528) 3.183 6.504 ( 3.966 3.850 -10.676) 12.022 7.395 ( -3.960 -14.323 5.231) 15.754 8.106 ( -3.807 -1.274 -5.475) 6.790======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( -1.250 10.869 8.029) 13.571 1.441 ( 1.269 15.119 -3.579) 15.588 1.832 ( 5.045 3.653 0.190) 6.232 2.005 ( 6.667 9.383 1.036) 11.556 2.694 ( 4.119 5.377 -6.663) 9.501 3.057 ( 11.385 15.576 4.386) 19.785 5.239 ( 4.438 8.622 1.283) 9.782 5.832 ( -4.205 -4.016 -1.651) 6.045 6.031 ( -0.284 -1.156 -0.615) 1.340 6.564 ( 4.107 -1.227 -6.400) 7.703 7.177 ( -6.845 -13.266 4.592) 15.618 7.983 ( -5.775 -2.444 -5.296) 8.208======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 1.602 8.276 4.253) 9.442 1.583 ( 1.573 11.539 -4.893) 12.632 1.926 ( 3.170 1.055 0.101) 3.343 2.234 ( 6.457 11.966 1.050) 13.638 2.731 ( 1.153 -0.509 -2.465) 2.769 3.464 ( 13.076 15.276 2.459) 20.258 5.411 ( 3.949 9.624 1.234) 10.475 5.732 ( -2.782 -1.830 -1.868) 3.818 6.028 ( 0.268 1.152 -0.966) 1.527 6.580 ( 2.553 -3.676 -4.616) 6.429 6.924 ( -9.745 -10.984 3.373) 15.067 7.851 ( -3.812 -3.383 -3.664) 6.277======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 1.575 6.588 1.986) 7.058 1.711 ( 3.439 8.963 -4.639) 10.662 1.974 ( 2.222 -0.306 -0.335) 2.268 2.428 ( 2.884 6.590 2.057) 7.482 2.741 ( -1.208 5.176 -0.305) 5.324 3.784 ( 9.364 8.386 1.070) 12.615 5.557 ( 1.292 9.422 0.757) 9.540 5.703 ( 0.892 0.455 -1.531) 1.829 6.056 ( 1.095 2.254 -1.094) 2.734 6.555 ( 0.074 -4.623 -4.488) 6.444 6.657 ( -10.497 -6.106 2.975) 12.503 7.775 ( 0.216 -4.213 -1.437) 4.456======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( -0.370 5.353 0.535) 5.393 1.853 ( 5.280 6.069 -4.083) 9.022 1.999 ( 1.677 -0.967 -0.840) 2.111 2.448 ( -2.459 -2.945 3.092) 4.927 2.803 ( -4.330 14.970 -0.395) 15.589 3.964 ( 5.304 2.062 0.981) 5.775 5.646 ( -1.623 8.755 0.305) 8.909 5.755 ( 4.265 0.804 -1.022) 4.458 6.095 ( 1.363 1.759 -1.151) 2.505 6.379 ( -9.858 -3.723 0.453) 10.547 6.573 ( 0.058 -0.593 -0.878) 1.061 7.757 ( 2.749 -4.731 -0.015) 5.471======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( -2.121 4.057 0.223) 4.584 1.960 ( 2.728 0.888 -2.059) 3.531 2.014 ( 2.125 -1.091 -2.819) 3.695 2.366 ( -3.227 -2.247 2.769) 4.809 2.843 ( -9.044 15.251 -0.577) 17.740 4.024 ( 1.179 -1.880 1.365) 2.605 5.677 ( -4.164 7.335 0.170) 8.436 5.821 ( 2.907 -2.368 -0.228) 3.757 6.146 ( 3.404 2.480 -2.110) 4.711 6.228 ( -6.499 2.169 2.442) 7.274 6.577 ( 0.920 -0.192 -0.847) 1.265 7.766 ( 3.516 -4.708 0.724) 5.920======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -3.836 1.862 0.562) 4.301 1.950 ( -2.271 -1.832 0.659) 2.991 2.010 ( 0.177 -2.904 -1.914) 3.482 2.351 ( 1.406 0.900 0.013) 1.669 2.789 ( -12.017 11.704 -0.924) 16.800 3.970 ( -5.043 -3.635 1.213) 6.334 5.650 ( -6.240 4.828 0.513) 7.907 5.800 ( -0.768 -3.564 0.867) 3.748 6.142 ( -4.275 1.540 0.596) 4.583 6.310 ( 7.122 7.010 -2.276) 10.249 6.601 ( 3.058 -0.876 0.217) 3.188 7.791 ( 4.271 -3.895 1.337) 5.933======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -5.714 -1.310 1.617) 6.081 1.863 ( -6.042 -1.357 2.257) 6.591 1.969 ( -1.400 -2.231 -1.304) 2.939 2.360 ( -4.028 0.559 -0.152) 4.069 2.706 ( -5.364 6.920 -1.877) 8.955 3.771 ( -13.970 -4.195 0.575) 14.598 5.555 ( -8.895 2.056 0.721) 9.157 5.767 ( 0.585 -2.240 1.136) 2.579 6.083 ( -4.352 1.895 0.171) 4.750 6.493 ( 6.593 5.715 -5.171) 10.142 6.686 ( 7.984 -0.802 2.131) 8.303 7.852 ( 5.899 -2.382 1.560) 6.551======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( -8.582 -3.712 3.035) 9.831 1.727 ( -9.220 -0.956 1.020) 9.326 1.904 ( -3.804 -1.016 -1.031) 4.071 2.201 ( -13.004 0.564 0.392) 13.022 2.754 ( 4.365 2.599 -2.047) 5.477 3.409 ( -23.210 -3.236 0.608) 23.442 5.397 ( -10.348 -0.058 0.704) 10.372 5.788 ( 3.190 -0.753 0.289) 3.291 6.041 ( -2.035 1.167 -0.233) 2.357 6.605 ( 3.513 2.984 -4.335) 6.328 6.873 ( 12.250 0.483 1.840) 12.396 7.952 ( 7.106 -1.308 0.412) 7.237======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( -12.636 -3.142 3.685) 13.532 1.507 ( -14.145 -3.266 -2.825) 14.790 1.814 ( -6.820 1.640 1.354) 7.144 1.988 ( -11.259 0.716 0.486) 11.292 2.821 ( -3.369 -0.871 -6.761) 7.604 2.963 ( -20.946 1.929 5.711) 21.796 5.220 ( -9.534 -0.204 0.589) 9.554 5.857 ( 5.426 -0.674 -0.831) 5.530 6.038 ( 0.969 0.157 -0.182) 0.998 6.661 ( 1.301 2.119 -3.403) 4.214 7.109 ( 13.647 -0.057 2.426) 13.861 8.056 ( 6.325 -1.625 -2.280) 6.917======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -0.000 7.951 6.998) 10.592 1.406 ( -0.000 16.139 1.572) 16.215 1.748 ( 0.000 9.604 -4.959) 10.808 1.798 ( -0.000 8.284 7.312) 11.050 2.577 ( 0.000 18.720 -6.673) 19.873 2.890 ( -0.000 6.713 1.733) 6.933 5.143 ( -0.000 7.674 0.694) 7.705 5.919 ( 0.000 -4.514 -0.551) 4.547 6.030 ( 0.000 -3.157 -0.502) 3.197 6.472 ( 0.000 1.773 -8.585) 8.766 7.292 ( -0.000 -15.187 4.054) 15.719 8.112 ( 0.000 -1.776 -4.745) 5.067======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( -2.218 5.623 3.914) 7.201 1.562 ( 0.357 12.912 -1.878) 13.053 1.833 ( 0.547 7.591 1.138) 7.696 1.978 ( 7.351 9.467 0.973) 12.025 2.658 ( 1.743 0.773 -7.118) 7.369 3.110 ( 5.557 22.300 4.585) 23.435 5.256 ( 3.587 8.182 0.779) 8.968 5.852 ( -2.728 -3.294 -1.169) 4.434 6.010 ( 0.715 -1.449 -0.411) 1.668 6.474 ( 2.269 -1.534 -5.679) 6.305 7.129 ( -2.681 -14.525 3.093) 15.091 8.038 ( -4.358 -2.385 -4.289) 6.563======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 0.259 5.602 3.074) 6.395 1.668 ( -0.060 9.998 -4.321) 10.892 1.903 ( 1.267 2.566 1.027) 3.040 2.231 ( 8.224 11.902 0.945) 14.498 2.673 ( 3.169 -1.555 -2.672) 4.427 3.460 ( 7.835 19.315 2.402) 20.982 5.428 ( 5.583 8.927 1.237) 10.601 5.766 ( -3.453 -1.479 -1.597) 4.081 6.021 ( 1.149 0.801 -1.199) 1.844 6.478 ( 2.815 -3.908 -3.712) 6.081 6.936 ( -4.648 -12.583 2.349) 13.618 7.902 ( -6.371 -2.807 -3.564) 7.821======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.547 ( 1.724 6.094 3.037) 7.024 1.747 ( 0.966 7.593 -4.359) 8.808 1.941 ( 1.315 0.354 0.312) 1.397 2.438 ( 3.235 4.746 2.310) 6.191 2.764 ( 6.101 6.917 -0.762) 9.254 3.745 ( 6.223 11.309 0.756) 12.930 5.609 ( 3.844 8.444 1.439) 9.389 5.712 ( -1.345 0.999 -1.139) 2.026 6.052 ( 1.187 1.885 -2.505) 3.352 6.475 ( 2.593 -3.888 -2.703) 5.398 6.738 ( -6.207 -8.929 1.977) 11.052 7.764 ( -4.452 -3.407 -2.332) 6.072======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 0.315 6.121 1.946) 6.430 1.834 ( 2.764 5.336 -2.824) 6.639 1.961 ( 1.274 -0.717 -0.121) 1.467 2.459 ( -1.181 -2.648 2.498) 3.827 2.981 ( 3.376 16.328 -0.217) 16.674 3.900 ( 3.887 2.489 0.250) 4.623 5.701 ( 1.650 2.666 0.361) 3.156 5.757 ( 0.374 6.415 0.429) 6.440 6.076 ( 1.202 0.237 -3.207) 3.433 6.459 ( -1.919 -1.621 -1.131) 2.755 6.588 ( -3.210 -2.622 1.256) 4.331 7.678 ( -0.258 -4.490 -1.032) 4.614======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( -2.036 5.592 1.072) 6.046 1.917 ( 2.881 1.896 -2.193) 4.087 1.970 ( 1.055 -1.385 -0.534) 1.821 2.399 ( -2.548 -2.754 2.071) 4.286 3.147 ( -5.328 18.301 -0.380) 19.065 3.952 ( 3.554 -4.022 0.699) 5.413 5.759 ( 1.938 -0.092 0.005) 1.940 5.802 ( -1.627 5.893 1.001) 6.195 6.088 ( 2.741 -1.641 -3.032) 4.405 6.384 ( -6.178 3.923 1.846) 7.547 6.570 ( 0.013 0.435 -0.913) 1.011 7.654 ( 3.037 -5.153 -0.114) 5.982======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -4.518 3.643 0.873) 5.869 1.950 ( 0.963 -0.831 -1.014) 1.627 1.965 ( 0.640 -1.929 -1.337) 2.433 2.354 ( -0.859 -0.357 1.338) 1.630 3.140 ( -13.425 13.414 -0.501) 18.985 3.960 ( 1.963 -4.724 0.889) 5.193 5.744 ( -1.596 -1.302 0.153) 2.066 5.824 ( -2.778 2.773 1.088) 4.073 6.139 ( 4.945 -0.473 -2.548) 5.583 6.361 ( -3.885 8.017 1.854) 9.100 6.562 ( 0.134 -1.275 -0.992) 1.621 7.673 ( 4.555 -4.334 0.340) 6.297======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( -6.449 0.451 0.963) 6.536 1.927 ( -2.558 -0.804 0.187) 2.688 1.954 ( 0.473 -1.156 -1.497) 1.949 2.369 ( 1.443 0.558 0.925) 1.802 2.973 ( -15.577 5.828 -0.374) 16.635 3.907 ( -4.973 -2.467 0.418) 5.567 5.697 ( -3.695 -0.180 0.594) 3.746 5.768 ( -3.964 -0.296 0.451) 4.000 6.172 ( -2.204 1.111 -1.265) 2.774 6.437 ( 4.209 6.484 -1.690) 7.913 6.568 ( 3.748 -2.885 1.107) 4.858 7.728 ( 5.578 -2.425 0.163) 6.084======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( -7.628 -0.955 1.171) 7.776 1.842 ( -5.961 -1.463 -1.633) 6.351 1.944 ( -1.234 0.740 -0.465) 1.512 2.374 ( -4.194 0.329 1.485) 4.461 2.781 ( -7.468 0.767 -0.336) 7.515 3.726 ( -14.503 -0.134 0.366) 14.508 5.576 ( -9.605 -0.383 0.641) 9.634 5.740 ( 1.014 -0.620 -0.552) 1.311 6.104 ( -4.387 -0.167 -0.914) 4.484 6.565 ( 3.688 4.005 -3.094) 6.262 6.668 ( 10.799 -2.491 2.611) 11.386 7.817 ( 6.578 -0.934 -1.013) 6.721======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( -9.445 0.417 0.587) 9.472 1.673 ( -10.303 -2.794 -4.561) 11.609 1.921 ( -3.104 2.174 0.596) 3.836 2.210 ( -12.872 -0.183 1.290) 12.938 2.764 ( 3.222 -0.554 -0.894) 3.389 3.421 ( -22.134 3.566 1.844) 22.495 5.394 ( -10.274 -0.535 0.468) 10.299 5.768 ( 3.122 -0.699 -1.781) 3.661 6.040 ( -1.744 -0.980 -0.357) 2.033 6.640 ( 2.699 1.854 -1.143) 3.468 6.869 ( 13.405 -2.148 1.869) 13.704 7.918 ( 6.462 -0.981 -3.199) 7.277======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 0.000 1.336 -0.755) 1.535 1.673 ( 0.000 10.640 -2.570) 10.946 1.931 ( -0.000 2.740 0.935) 2.895 1.990 ( 0.000 13.920 0.082) 13.920 2.613 ( 0.000 -2.726 -3.438) 4.387 3.318 ( -0.000 24.386 3.723) 24.668 5.295 ( 0.000 6.693 -0.046) 6.693 5.848 ( 0.000 -1.909 -1.643) 2.519 5.992 ( -0.000 -0.112 0.135) 0.176 6.422 ( 0.000 -2.500 -3.326) 4.161 7.012 ( -0.000 -14.214 1.498) 14.292 8.043 ( 0.000 -2.485 -3.427) 4.234======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 1.557 1.634 -0.893) 2.427 1.747 ( -0.443 7.301 -5.377) 9.078 1.933 ( -0.933 1.802 0.200) 2.039 2.206 ( 7.752 11.966 0.412) 14.264 2.594 ( 2.048 -3.310 0.598) 3.938 3.583 ( 2.624 20.616 2.221) 20.901 5.404 ( 5.383 5.862 -0.084) 7.959 5.805 ( -2.509 -0.499 -2.311) 3.448 6.011 ( 0.935 1.841 -0.109) 2.068 6.397 ( 1.179 -3.480 -1.091) 3.833 6.864 ( -1.618 -12.600 0.357) 12.709 7.968 ( -4.535 -2.364 -2.767) 5.815======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 3.899 2.965 0.729) 4.953 1.787 ( 0.452 4.809 -5.542) 7.352 1.941 ( -0.087 1.015 0.633) 1.200 2.431 ( 4.002 5.214 2.247) 6.946 2.667 ( 9.589 2.848 0.518) 10.016 3.805 ( 2.034 13.768 0.774) 13.939 5.585 ( 7.802 5.859 0.410) 9.765 5.753 ( -2.501 1.007 -1.880) 3.287 6.047 ( 0.663 2.314 -1.614) 2.898 6.388 ( 2.204 -3.423 0.208) 4.077 6.716 ( -2.392 -9.761 -0.038) 10.050 7.836 ( -6.845 -2.015 -2.136) 7.448======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 3.948 3.895 1.369) 5.713 1.834 ( 1.662 3.450 -2.934) 4.824 1.949 ( 0.021 0.309 0.374) 0.486 2.458 ( -0.869 -1.999 2.451) 3.280 2.967 ( 13.913 10.883 0.113) 17.664 3.915 ( -0.961 5.605 -0.103) 5.688 5.717 ( 0.019 2.769 0.020) 2.769 5.779 ( 4.181 4.562 0.028) 6.188 6.054 ( -0.483 -0.163 -2.949) 2.992 6.422 ( 4.055 -0.571 0.400) 4.115 6.598 ( -2.037 -5.533 0.454) 5.914 7.695 ( -5.868 -2.128 -1.446) 6.407======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 1.466 4.704 0.819) 4.995 1.882 ( 1.670 0.606 -0.994) 2.036 1.951 ( 0.163 -0.237 0.059) 0.294 2.414 ( -1.829 -2.372 1.357) 3.288 3.306 ( 9.042 14.690 0.213) 17.251 3.886 ( -2.938 -3.547 -0.212) 4.611 5.746 ( 0.680 1.709 0.468) 1.898 5.867 ( 0.626 4.154 0.627) 4.247 6.020 ( 0.276 -3.277 -2.809) 4.325 6.485 ( -0.102 2.978 0.443) 3.012 6.558 ( 1.461 -0.965 0.348) 1.785 7.595 ( -2.067 -2.908 -0.700) 3.635======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -3.300 4.074 0.886) 5.317 1.898 ( 2.260 -2.094 -1.075) 3.263 1.951 ( 0.160 -0.300 -0.066) 0.347 2.371 ( -1.351 -1.016 0.735) 1.844 3.488 ( -9.252 14.522 -0.135) 17.219 3.814 ( 6.177 -9.195 0.254) 11.080 5.752 ( -0.937 -0.452 0.237) 1.067 5.897 ( -2.057 2.587 1.086) 3.479 6.024 ( 5.227 -1.689 -2.131) 5.892 6.498 ( -1.834 4.081 1.599) 4.751 6.564 ( -1.738 -0.348 -1.128) 2.101 7.571 ( 2.489 -2.446 -0.173) 3.494======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -6.150 -0.579 0.468) 6.194 1.928 ( 1.580 0.699 -0.784) 1.897 1.948 ( -0.368 0.149 0.059) 0.402 2.356 ( 0.297 -0.329 0.917) 1.018 3.297 ( -17.057 0.271 0.130) 17.060 3.894 ( 4.439 -0.416 -0.111) 4.460 5.725 ( -1.532 -0.082 0.338) 1.571 5.852 ( -4.016 -0.682 0.113) 4.075 6.129 ( 5.966 1.087 -1.627) 6.279 6.486 ( -3.326 -3.444 -0.674) 4.835 6.520 ( -0.441 3.251 1.342) 3.544 7.622 ( 4.691 -0.183 -0.384) 4.710======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( -6.552 -1.308 0.426) 6.695 1.909 ( -3.506 0.104 -1.902) 3.990 1.965 ( 0.120 2.054 -0.099) 2.060 2.382 ( 2.152 -0.211 2.242) 3.115 2.980 ( -15.413 -5.223 0.298) 16.276 3.900 ( -4.763 1.834 -0.262) 5.111 5.692 ( -3.864 -0.344 0.087) 3.880 5.759 ( -4.095 -0.593 -0.465) 4.164 6.161 ( -2.677 -1.058 -2.223) 3.637 6.469 ( 7.564 -4.634 1.254) 8.959 6.555 ( 1.093 2.521 0.097) 2.749 7.714 ( 5.076 1.587 -1.236) 5.461======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( -6.738 0.360 -0.289) 6.754 1.799 ( -8.064 -0.324 -4.614) 9.296 1.978 ( -1.114 2.243 -0.023) 2.505 2.386 ( -5.218 -0.356 2.319) 5.721 2.734 ( -4.080 -5.116 1.094) 6.635 3.770 ( -13.106 3.802 0.443) 13.653 5.549 ( -8.825 -2.495 0.069) 9.171 5.737 ( -0.133 1.183 -2.026) 2.350 6.073 ( -3.595 -1.610 -0.834) 4.026 6.584 ( 6.724 -4.673 4.444) 9.317 6.634 ( 8.319 1.012 -3.457) 9.065 7.813 ( 4.776 1.622 -2.471) 5.617======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.000 0.532 -2.125) 2.190 1.783 ( 0.000 3.110 -8.701) 9.241 1.950 ( 0.000 0.664 -0.274) 0.719 2.248 ( -0.000 10.974 0.682) 10.995 2.551 ( -0.000 -3.435 4.136) 5.376 3.765 ( -0.000 17.852 1.476) 17.913 5.392 ( 0.000 3.211 -0.797) 3.308 5.818 ( 0.000 0.325 -3.515) 3.530 6.031 ( -0.000 3.470 0.755) 3.551 6.358 ( -0.000 -2.952 1.549) 3.334 6.756 ( 0.000 -11.058 -1.228) 11.126 7.979 ( 0.000 -2.059 -2.032) 2.893======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 3.690 1.076 -0.971) 3.964 1.780 ( 1.228 0.830 -7.936) 8.074 1.958 ( -0.303 1.170 0.755) 1.426 2.413 ( 5.805 7.559 0.830) 9.567 2.551 ( 3.505 -2.280 3.776) 5.634 3.926 ( 0.219 12.638 0.496) 12.650 5.482 ( 7.325 2.484 -0.595) 7.758 5.796 ( -1.835 1.134 -3.074) 3.755 6.071 ( -0.144 3.515 0.077) 3.518 6.340 ( 0.447 -2.634 2.580) 3.714 6.646 ( -0.717 -8.284 -1.766) 8.501 7.916 ( -4.434 -1.452 -1.509) 4.903======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 5.974 1.661 0.281) 6.207 1.810 ( 2.924 1.348 -3.634) 4.855 1.962 ( -0.611 0.630 0.574) 1.048 2.467 ( -1.107 -1.262 2.335) 2.876 2.768 ( 16.228 4.928 0.388) 16.964 4.012 ( -1.985 6.737 -0.187) 7.026 5.668 ( 9.949 2.624 -0.208) 10.292 5.771 ( -1.559 1.603 -1.594) 2.746 6.080 ( -1.928 1.516 -0.840) 2.592 6.346 ( 2.681 -2.028 1.798) 3.812 6.566 ( -0.528 -4.422 -0.945) 4.552 7.799 ( -7.062 -0.730 -1.071) 7.180======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 5.684 1.339 -0.059) 5.840 1.866 ( 1.864 1.210 -0.255) 2.236 1.955 ( -0.598 0.026 0.237) 0.644 2.428 ( -1.773 -1.693 0.674) 2.542 3.131 ( 19.117 4.483 0.240) 19.637 3.980 ( -6.509 1.471 -0.413) 6.686 5.763 ( -0.577 1.415 -0.004) 1.528 5.837 ( 6.214 1.622 -0.577) 6.448 6.031 ( -3.725 -0.369 -0.389) 3.764 6.422 ( 7.143 -0.421 0.070) 7.156 6.535 ( -0.005 -1.046 0.359) 1.106 7.664 ( -7.062 -0.385 -0.534) 7.092======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( 4.706 -0.458 -0.439) 4.748 1.873 ( -1.835 0.450 0.481) 1.949 1.949 ( -0.069 -0.011 0.058) 0.090 2.387 ( -1.496 -0.703 -0.301) 1.680 3.485 ( 17.692 -0.317 0.038) 17.695 3.820 ( -11.893 0.322 -0.101) 11.898 5.761 ( -0.303 -0.396 -0.232) 0.550 5.927 ( 3.270 -1.907 -1.140) 3.954 5.969 ( -2.653 3.230 1.640) 4.490 6.525 ( -0.119 0.176 -0.120) 0.244 6.546 ( 4.705 -0.685 0.000) 4.755 7.566 ( -3.366 0.413 0.082) 3.392======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( -3.100 -4.683 -0.382) 5.629 1.913 ( 2.316 3.181 0.487) 3.965 1.952 ( 0.225 0.388 0.020) 0.449 2.360 ( -1.029 -0.223 -0.347) 1.108 3.490 ( -8.745 -14.453 0.074) 16.893 3.811 ( 5.573 8.965 -0.120) 10.557 5.751 ( -0.480 0.231 0.014) 0.533 5.880 ( -1.871 -3.319 -0.577) 3.853 6.055 ( 4.079 4.083 1.031) 5.862 6.473 ( -2.879 -5.196 -0.861) 6.002 6.581 ( -0.451 0.604 0.544) 0.929 7.573 ( 2.037 2.695 0.074) 3.379======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( -4.248 -3.812 -0.087) 5.708 1.953 ( -0.652 1.224 -0.338) 1.428 1.983 ( 0.968 3.264 0.122) 3.406 2.349 ( 0.740 -0.911 0.840) 1.443 3.148 ( -13.289 -13.255 0.296) 18.772 3.948 ( 1.808 4.298 -0.432) 4.683 5.748 ( -1.990 1.641 0.573) 2.642 5.804 ( -2.471 -3.370 -0.993) 4.295 6.157 ( 2.484 1.976 -0.873) 3.292 6.344 ( -1.263 -8.494 0.302) 8.593 6.576 ( -0.639 0.835 0.479) 1.156 7.665 ( 3.826 4.227 -0.556) 5.728======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( -4.268 -1.840 -0.280) 4.656 1.920 ( -5.327 2.413 -2.872) 6.515 2.014 ( -0.678 2.842 -0.772) 3.022 2.386 ( 3.616 -1.112 3.348) 5.052 2.802 ( -11.264 -11.457 0.478) 16.074 3.956 ( -4.724 3.231 -0.185) 5.726 5.644 ( -6.447 -4.838 -0.090) 8.061 5.778 ( -1.857 3.499 -1.393) 4.199 6.119 ( -3.801 -1.393 -1.518) 4.323 6.355 ( 9.021 -7.330 2.184) 11.827 6.590 ( 1.349 1.185 -0.912) 2.014 7.768 ( 3.314 3.934 -1.116) 5.264======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.000 0.547 -1.058) 1.191 1.741 ( 0.000 -0.335 -6.329) 6.338 1.975 ( -0.000 0.945 0.843) 1.266 2.422 ( -0.000 5.872 0.316) 5.880 2.513 ( -0.000 -3.044 3.820) 4.885 4.035 ( 0.000 8.773 -0.121) 8.774 5.426 ( 0.000 1.018 -0.486) 1.128 5.816 ( 0.000 1.430 -2.664) 3.024 6.110 ( -0.000 3.220 0.390) 3.244 6.323 ( -0.000 -2.258 2.482) 3.356 6.576 ( 0.000 -5.348 -1.872) 5.666 7.939 ( 0.000 -1.007 -1.048) 1.454======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.511 ( 4.689 0.616 -0.177) 4.733 1.758 ( 2.803 1.319 -1.526) 3.453 1.979 ( -0.503 0.288 0.626) 0.853 2.478 ( -0.735 -1.191 1.114) 1.789 2.565 ( 10.051 1.605 0.559) 10.194 4.092 ( -0.889 4.119 -0.584) 4.254 5.510 ( 8.336 0.793 -0.128) 8.375 5.812 ( -1.507 1.568 -0.803) 2.318 6.126 ( -1.226 1.532 -0.143) 1.968 6.306 ( 0.310 -2.187 0.261) 2.225 6.536 ( -0.113 -1.791 -0.268) 1.815 7.892 ( -4.199 -0.291 -0.739) 4.274======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 6.322 -0.169 -0.444) 6.339 1.835 ( 3.183 2.003 1.982) 4.251 1.969 ( -0.820 -0.245 0.348) 0.924 2.442 ( -1.466 -1.420 -0.788) 2.188 2.822 ( 17.591 -0.084 0.261) 17.593 4.076 ( -3.293 0.044 -0.725) 3.372 5.692 ( 10.555 0.069 -0.404) 10.563 5.795 ( -1.673 0.872 0.683) 2.007 6.097 ( -2.946 0.529 0.415) 3.022 6.313 ( 3.482 -1.091 -1.348) 3.890 6.532 ( -0.006 0.586 0.884) 1.060 7.792 ( -6.984 0.383 -0.329) 7.003======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 5.676 -1.946 -0.936) 6.073 1.889 ( 0.563 0.422 2.101) 2.216 1.953 ( -0.496 -0.285 0.096) 0.580 2.405 ( -1.276 -0.122 -1.800) 2.210 3.130 ( 18.934 -4.666 0.138) 19.501 3.980 ( -6.242 -1.214 -0.364) 6.370 5.758 ( -0.661 -1.542 -0.577) 1.774 5.842 ( 5.197 -1.423 -0.124) 5.389 6.058 ( -2.981 2.520 2.508) 4.640 6.409 ( 8.027 -0.258 -1.297) 8.135 6.538 ( -0.880 0.865 0.578) 1.362 7.673 ( -6.940 1.272 0.356) 7.064======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 1.627 -5.461 -1.039) 5.793 1.905 ( 1.291 0.771 1.461) 2.096 1.950 ( 0.297 0.111 -0.069) 0.325 2.384 ( -1.339 1.096 -1.864) 2.543 3.301 ( 9.096 -14.539 -0.280) 17.153 3.890 ( -3.064 3.414 0.257) 4.595 5.735 ( 0.649 -1.581 -0.680) 1.839 5.857 ( 0.461 -4.094 -0.432) 4.143 6.080 ( -0.081 4.652 3.490) 5.816 6.479 ( -1.662 -3.374 -0.058) 3.762 6.545 ( 3.035 0.837 -1.173) 3.360 7.610 ( -2.454 3.421 0.867) 4.299======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( -1.453 -5.578 -0.369) 5.776 1.947 ( 2.064 -0.470 0.975) 2.330 1.981 ( 2.280 2.072 0.547) 3.129 2.361 ( -2.007 1.131 -1.769) 2.905 3.150 ( -4.942 -18.124 -0.066) 18.786 3.946 ( 2.929 3.705 0.038) 4.723 5.754 ( 2.697 -0.565 -0.639) 2.828 5.796 ( -2.110 -4.442 0.522) 4.945 6.141 ( 1.661 2.087 2.421) 3.603 6.352 ( -7.003 -4.212 -1.391) 8.289 6.578 ( 0.769 -0.399 -0.016) 0.866 7.660 ( 2.133 5.187 0.494) 5.630======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( -2.054 -3.558 -0.000) 4.109 1.975 ( 0.535 0.926 -0.000) 1.069 2.049 ( 1.663 2.880 -0.000) 3.325 2.335 ( -0.282 -0.488 0.000) 0.564 2.849 ( -8.881 -15.383 -0.000) 17.763 4.011 ( 0.965 1.671 -0.000) 1.930 5.676 ( -4.084 -7.074 0.000) 8.169 5.822 ( 2.051 3.552 -0.000) 4.102 6.181 ( -0.125 -0.217 0.000) 0.250 6.191 ( -3.119 -5.402 -0.000) 6.238 6.584 ( 0.310 0.538 -0.000) 0.621 7.759 ( 2.755 4.772 -0.000) 5.510======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( -0.000 0.529 0.539) 0.755 1.757 ( -0.000 3.465 3.141) 4.677 1.985 ( -0.000 -0.357 0.471) 0.591 2.471 ( 0.000 -2.067 -0.737) 2.194 2.481 ( 0.000 -0.136 -0.072) 0.154 4.118 ( 0.000 0.004 -0.967) 0.967 5.438 ( -0.000 0.297 0.448) 0.538 5.843 ( -0.000 1.456 1.150) 1.855 6.142 ( 0.000 -0.257 -0.510) 0.571 6.281 ( 0.000 -1.478 -2.669) 3.051 6.536 ( -0.000 1.102 1.533) 1.888 7.927 ( 0.000 0.288 -0.612) 0.677======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 3.976 -0.071 0.521) 4.011 1.832 ( 1.665 4.021 6.339) 7.689 1.975 ( -0.460 -0.956 0.192) 1.078 2.442 ( -0.700 -1.275 -2.811) 3.165 2.559 ( 10.566 -2.585 -0.053) 10.877 4.087 ( -0.825 -4.184 -1.164) 4.420 5.517 ( 8.107 -0.363 0.532) 8.132 5.840 ( -2.036 0.373 2.139) 2.976 6.125 ( -0.473 -1.459 -0.079) 1.536 6.269 ( 0.678 0.418 -3.451) 3.541 6.560 ( -0.499 3.159 2.038) 3.792 7.895 ( -4.090 0.975 -0.424) 4.226======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( 4.987 -1.781 -0.504) 5.319 1.895 ( 0.241 0.608 5.334) 5.374 1.955 ( -0.471 -1.077 -0.150) 1.185 2.414 ( -0.541 0.130 -3.371) 3.417 2.768 ( 16.530 -5.109 0.374) 17.306 4.005 ( -1.612 -6.807 -0.952) 7.060 5.665 ( 8.846 -2.663 -0.435) 9.248 5.798 ( -2.318 -1.278 1.121) 2.874 6.108 ( -0.204 -0.837 2.155) 2.321 6.310 ( 3.539 2.732 -1.856) 4.841 6.586 ( -1.539 4.192 1.158) 4.614 7.810 ( -6.741 1.629 0.130) 6.936======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 3.508 -4.894 -1.661) 6.246 1.894 ( -0.017 -2.336 3.386) 4.114 1.943 ( 0.226 -0.394 -0.231) 0.509 2.407 ( -0.339 1.631 -2.921) 3.362 2.968 ( 13.570 -10.644 0.191) 17.247 3.914 ( -0.426 -5.781 -0.257) 5.802 5.710 ( 0.684 -3.013 -0.699) 3.168 5.775 ( 2.371 -4.323 -0.318) 4.941 6.120 ( 0.745 0.051 3.876) 3.948 6.420 ( 4.892 2.967 0.253) 5.727 6.587 ( -3.566 4.157 -0.842) 5.541 7.719 ( -5.739 2.972 1.026) 6.543======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 1.525 -6.469 -1.134) 6.742 1.888 ( 2.155 -3.785 2.748) 5.150 1.964 ( 1.714 1.022 0.189) 2.005 2.406 ( -1.246 2.202 -2.988) 3.915 2.982 ( 3.344 -15.937 -0.152) 16.285 3.899 ( 3.784 -3.063 0.098) 4.869 5.694 ( 1.518 -3.380 -0.338) 3.721 5.756 ( 1.140 -4.625 0.301) 4.773 6.136 ( 0.584 -2.119 3.153) 3.844 6.474 ( -5.553 4.418 0.138) 7.097 6.562 ( -0.052 1.621 -1.241) 2.042 7.702 ( -1.065 4.801 1.453) 5.128======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -0.000 0.195 1.460) 1.473 1.890 ( -0.000 3.852 9.527) 10.276 1.966 ( 0.000 -1.322 -0.094) 1.326 2.416 ( 0.000 -6.116 -0.297) 6.123 2.437 ( 0.000 1.084 -4.424) 4.555 4.021 ( 0.000 -9.113 -1.534) 9.241 5.441 ( -0.000 -0.750 1.010) 1.258 5.869 ( -0.000 -0.565 2.743) 2.801 6.096 ( 0.000 -3.453 -1.051) 3.610 6.271 ( 0.000 2.991 -2.749) 4.062 6.616 ( -0.000 5.446 2.194) 5.871 7.944 ( 0.000 1.815 -0.562) 1.900======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 2.294 -0.919 0.666) 2.559 1.911 ( -0.511 -3.228 4.363) 5.451 1.960 ( -1.058 0.388 2.300) 2.561 2.385 ( 2.634 -5.126 -2.320) 6.212 2.506 ( 7.856 0.960 -0.643) 7.940 3.906 ( 0.535 -13.161 -1.579) 13.266 5.493 ( 6.638 -2.713 0.452) 7.186 5.838 ( -2.754 -1.410 1.134) 3.295 6.069 ( 1.376 -3.563 -0.208) 3.825 6.317 ( 1.035 5.394 0.360) 5.504 6.674 ( -1.346 7.156 1.210) 7.381 7.928 ( -4.134 2.529 -0.352) 4.859======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 2.115 -4.092 -1.476) 4.837 1.868 ( -0.071 -5.628 2.448) 6.137 1.939 ( -0.674 -1.295 0.959) 1.747 2.384 ( 2.967 -3.542 -2.497) 5.252 2.675 ( 10.335 -2.203 1.314) 10.648 3.787 ( 2.776 -14.390 -1.101) 14.696 5.572 ( 6.750 -6.438 -0.944) 9.375 5.774 ( -2.986 -0.862 0.389) 3.132 6.075 ( 2.669 -2.787 1.167) 4.031 6.414 ( 2.494 6.428 3.149) 7.580 6.711 ( -3.590 7.997 -0.711) 8.795 7.861 ( -6.338 3.327 0.528) 7.177======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 2.202 -7.100 -2.150) 7.738 1.820 ( 0.954 -6.701 3.223) 7.497 1.940 ( 1.599 -0.364 0.314) 1.670 2.392 ( 2.730 -3.696 -2.403) 5.185 2.777 ( 5.151 -6.124 0.609) 8.025 3.731 ( 6.843 -12.320 -0.647) 14.108 5.584 ( 4.157 -8.594 -1.155) 9.616 5.733 ( -1.363 0.031 0.982) 1.680 6.092 ( 1.717 -3.415 1.731) 4.196 6.534 ( 2.554 5.652 3.657) 7.200 6.694 ( -7.244 7.883 -2.859) 11.081 7.804 ( -4.586 4.557 1.836) 6.721======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -0.000 -0.941 0.644) 1.140 1.868 ( -0.000 -6.792 0.490) 6.810 1.985 ( -0.000 -1.588 2.576) 3.026 2.242 ( -0.000 -10.873 -0.001) 10.873 2.511 ( -0.000 7.924 0.537) 7.942 3.732 ( 0.000 -18.786 -1.954) 18.887 5.405 ( -0.000 -3.727 0.517) 3.763 5.853 ( -0.000 -1.231 0.035) 1.231 6.018 ( 0.000 -2.987 -0.592) 3.045 6.371 ( -0.000 6.226 3.046) 6.931 6.773 ( -0.000 9.291 0.568) 9.308 7.993 ( 0.000 3.415 -0.668) 3.480======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( -0.233 -3.654 -1.646) 4.014 1.792 ( 0.816 -8.923 -0.803) 8.996 1.936 ( -1.541 -4.119 0.787) 4.468 2.196 ( 6.633 -11.329 -0.504) 13.138 2.623 ( 2.158 7.784 3.495) 8.801 3.543 ( 3.177 -21.888 -1.842) 22.194 5.400 ( 4.512 -6.563 -0.418) 7.976 5.822 ( -2.379 0.254 -0.407) 2.427 6.012 ( 1.799 -1.465 0.028) 2.320 6.458 ( 1.339 6.097 5.303) 8.191 6.855 ( -2.274 10.582 -0.795) 10.853 7.992 ( -4.022 4.044 -0.278) 5.711======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -0.024 -8.556 -3.918) 9.410 1.726 ( 1.876 -9.436 1.437) 9.727 1.897 ( 1.542 -3.223 0.489) 3.606 2.208 ( 7.395 -11.148 -1.180) 13.430 2.730 ( 1.213 4.594 3.076) 5.660 3.420 ( 8.702 -21.170 -1.708) 22.952 5.405 ( 5.115 -9.063 -1.136) 10.469 5.787 ( -2.857 1.983 0.539) 3.520 6.038 ( 1.891 -1.151 0.561) 2.284 6.562 ( 2.015 5.047 5.136) 7.477 6.892 ( -5.452 10.938 -2.393) 12.453 7.948 ( -5.638 4.713 1.236) 7.452======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 0.000 -4.803 -3.142) 5.739 1.662 ( 0.000 -12.670 -4.492) 13.443 1.903 ( 0.000 -6.353 -0.792) 6.402 2.009 ( -0.000 -11.883 1.885) 12.032 2.707 ( -0.000 8.183 5.789) 10.024 3.259 ( 0.000 -26.644 -2.233) 26.738 5.292 ( 0.000 -7.313 -0.398) 7.324 5.850 ( 0.000 1.829 -1.196) 2.185 5.993 ( -0.000 0.688 0.324) 0.761 6.520 ( -0.000 4.907 6.897) 8.465 6.987 ( 0.000 12.125 -1.292) 12.193 8.069 ( 0.000 4.428 -0.755) 4.492======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( -3.386 -11.266 -6.832) 13.604 1.561 ( 4.452 -12.637 -2.951) 13.719 1.825 ( 0.789 -7.173 0.714) 7.251 1.972 ( 6.221 -10.180 0.859) 11.961 2.794 ( -0.278 4.870 6.491) 8.120 3.031 ( 6.377 -26.426 -3.282) 27.382 5.241 ( 3.048 -8.417 -0.770) 8.984 5.859 ( -1.825 3.757 -0.435) 4.200 6.017 ( 0.803 1.622 0.414) 1.857 6.594 ( 1.196 3.363 6.821) 7.699 7.080 ( -3.205 12.618 -2.134) 13.193 8.080 ( -3.478 4.559 -0.010) 5.734======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -13.230 -8.187) 15.558 1.317 ( 0.000 -17.378 -8.905) 19.527 1.726 ( -0.000 -11.842 0.845) 11.872 1.835 ( -0.000 -6.859 4.148) 8.016 2.659 ( -0.000 -30.055 1.236) 30.080 2.886 ( -0.000 5.261 1.957) 5.614 5.132 ( 0.000 -7.818 -0.532) 7.836 5.918 ( 0.000 5.328 -0.628) 5.365 6.040 ( -0.000 3.272 0.562) 3.320 6.629 ( -0.000 1.369 7.768) 7.888 7.234 ( 0.000 13.372 -2.061) 13.530 8.151 ( 0.000 3.942 -0.765) 4.015======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.406 ( -0.000 0.000 21.959) 21.959 0.406 ( -0.000 0.000 21.959) 21.959 0.739 ( -0.000 0.000 40.602) 40.602 1.682 ( 0.000 -0.000 -3.985) 3.985 1.682 ( 0.000 -0.000 -3.985) 3.985 3.464 ( 0.000 -0.000 -10.870) 10.870 4.884 ( -0.000 0.000 1.015) 1.015 4.884 ( -0.000 0.000 1.015) 1.015 6.198 ( 0.000 -0.000 -0.541) 0.541 6.198 ( 0.000 -0.000 -0.541) 0.541 7.837 ( -0.000 0.000 1.722) 1.722 8.244 ( 0.000 -0.000 -0.557) 0.557======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 8.246 4.761 14.099) 17.013 0.628 ( 6.380 3.683 21.746) 22.960 1.195 ( 23.740 13.706 25.725) 37.592 1.708 ( 2.314 1.336 -3.249) 4.207 1.730 ( 6.510 3.759 -6.070) 9.662 3.056 ( -9.469 -5.467 -0.995) 10.979 4.917 ( 2.503 1.445 1.112) 3.097 5.952 ( 37.596 21.706 -36.078) 56.447 6.152 ( -3.099 -1.789 -1.358) 3.828 6.173 ( -1.944 -1.122 -0.551) 2.311 7.794 ( -5.678 -3.278 4.028) 7.695 8.160 ( -3.949 -2.280 -2.004) 4.981======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( 12.603 7.277 5.902) 15.704 0.856 ( 8.649 4.993 12.221) 15.783 1.682 ( 10.228 5.905 8.925) 14.803 1.773 ( 4.158 2.401 -2.252) 5.303 2.049 ( 23.653 13.656 -0.189) 27.312 2.937 ( -1.419 -0.819 -4.782) 5.054 5.004 ( 4.669 2.696 0.956) 5.475 6.018 ( -6.258 -3.613 -1.369) 7.355 6.113 ( -2.958 -1.708 -0.498) 3.452 6.433 ( 14.431 8.332 -17.143) 23.907 7.605 ( -11.370 -6.564 7.138) 14.944 8.069 ( -3.417 -1.973 -6.779) 7.844======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 11.055 6.383 1.595) 12.865 1.092 ( 9.767 5.639 2.858) 11.634 1.853 ( 5.118 2.955 1.246) 6.039 1.893 ( 6.756 3.901 -1.005) 7.866 2.587 ( 17.553 10.134 -2.006) 20.367 2.981 ( 8.307 4.796 0.956) 9.640 5.132 ( 6.067 3.503 0.564) 7.028 5.864 ( -6.242 -3.604 -1.725) 7.411 6.046 ( -2.402 -1.387 -0.307) 2.790 6.619 ( 5.540 3.199 -7.845) 10.122 7.332 ( -13.934 -8.045 6.171) 17.232 7.962 ( -3.639 -2.101 -6.789) 7.984======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 7.292 4.210 -0.722) 8.451 1.325 ( 10.472 6.046 -2.791) 12.411 1.948 ( 3.115 1.798 -0.145) 3.600 2.075 ( 8.770 5.063 -0.003) 10.126 2.749 ( 0.904 0.522 -2.554) 2.759 3.353 ( 18.487 10.673 3.499) 21.632 5.274 ( 5.776 3.335 -0.039) 6.670 5.743 ( -3.301 -1.906 -1.926) 4.271 6.012 ( -0.333 -0.192 0.128) 0.405 6.662 ( 0.297 0.172 -4.552) 4.565 7.002 ( -15.609 -9.012 2.960) 18.265 7.882 ( -1.692 -0.977 -3.473) 3.985======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 4.233 2.444 -1.538) 5.124 1.559 ( 10.838 6.257 -5.410) 13.634 2.003 ( 1.815 1.048 -0.598) 2.180 2.275 ( 7.956 4.594 0.337) 9.194 2.699 ( -4.677 -2.700 0.888) 5.473 3.735 ( 13.197 7.620 1.921) 15.360 5.385 ( 3.831 2.212 -0.706) 4.480 5.715 ( 1.535 0.886 -1.806) 2.530 6.033 ( 1.843 1.064 0.725) 2.248 6.631 ( -2.502 -1.444 -0.717) 2.977 6.647 ( -14.024 -8.097 -1.646) 16.277 7.860 ( -0.007 -0.004 -0.440) 0.441======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 2.288 1.321 -1.506) 3.041 1.789 ( 10.566 6.100 -6.814) 13.974 2.031 ( 0.926 0.535 -1.221) 1.623 2.423 ( 4.513 2.606 0.317) 5.221 2.553 ( -8.043 -4.644 2.970) 9.751 3.967 ( 6.509 3.758 1.617) 7.688 5.447 ( 1.893 1.093 -1.037) 2.419 5.798 ( 5.834 3.368 -1.800) 6.973 6.083 ( 1.790 1.033 1.080) 2.332 6.328 ( -12.124 -7.000 1.406) 14.070 6.601 ( -0.467 -0.270 -2.170) 2.236 7.867 ( 0.371 0.214 0.859) 0.960======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 0.843 0.487 -1.037) 1.422 1.976 ( 4.676 2.700 -3.761) 6.580 2.054 ( 3.308 1.910 -5.368) 6.588 2.380 ( -6.519 -3.764 4.199) 8.619 2.475 ( -0.237 -0.137 0.182) 0.328 4.047 ( -0.050 -0.029 1.906) 1.907 5.472 ( 0.506 0.292 -0.896) 1.069 5.933 ( 3.801 2.194 -2.699) 5.152 6.104 ( -0.443 -0.256 1.009) 1.131 6.132 ( -3.162 -1.826 3.459) 5.030 6.603 ( 1.098 0.634 -1.166) 1.723 7.879 ( 0.422 0.244 1.380) 1.463======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -0.547 -0.316 -0.181) 0.657 1.963 ( -3.710 -2.142 0.884) 4.375 2.077 ( -2.625 -1.516 -1.110) 3.228 2.382 ( 6.821 3.938 -2.839) 8.372 2.413 ( -5.078 -2.932 -0.088) 5.864 3.969 ( -7.460 -4.307 1.739) 8.788 5.464 ( -1.134 -0.655 -0.417) 1.374 5.886 ( -4.140 -2.390 1.807) 5.111 6.070 ( -2.494 -1.440 0.578) 2.937 6.254 ( 9.315 5.378 -1.715) 10.892 6.651 ( 3.431 1.981 -0.109) 3.963 7.901 ( 1.228 0.709 2.183) 2.603======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( -2.384 -1.376 1.326) 3.056 1.824 ( -8.729 -5.039 5.411) 11.439 2.003 ( -3.320 -1.917 -0.084) 3.835 2.248 ( -8.733 -5.042 -0.706) 10.109 2.571 ( 9.247 5.339 -5.072) 11.821 3.704 ( -15.883 -9.170 0.843) 18.359 5.408 ( -3.835 -2.214 0.184) 4.432 5.823 ( -1.594 -0.920 2.919) 3.451 6.013 ( -1.954 -1.128 -0.049) 2.256 6.454 ( 8.201 4.735 -5.643) 11.023 6.771 ( 7.013 4.049 0.990) 8.158 7.956 ( 2.948 1.702 3.193) 4.667======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( -5.808 -3.353 4.126) 7.874 1.604 ( -11.984 -6.919 8.038) 16.003 1.905 ( -5.478 -3.162 -1.028) 6.408 2.027 ( -9.385 -5.419 -2.151) 11.049 2.753 ( 7.452 4.302 -4.093) 9.529 3.248 ( -23.357 -13.485 0.174) 26.971 5.288 ( -6.457 -3.728 0.517) 7.474 5.835 ( 1.941 1.121 2.119) 3.084 5.997 ( 0.750 0.433 -0.475) 0.987 6.584 ( 4.639 2.679 -7.019) 8.830 6.976 ( 10.155 5.863 1.162) 11.783 8.052 ( 4.245 2.451 3.015) 5.755======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -0.000 17.088 12.035) 20.900 0.777 ( -0.000 15.031 17.476) 23.051 1.179 ( -0.000 16.700 30.891) 35.116 1.637 ( 0.000 -0.091 -6.533) 6.534 1.771 ( 0.000 10.314 -4.026) 11.072 3.052 ( 0.000 -11.819 -2.930) 12.177 4.917 ( -0.000 2.824 1.107) 3.033 5.827 ( 0.000 41.353 -30.691) 51.498 6.164 ( 0.000 -1.348 -2.195) 2.576 6.168 ( 0.000 -2.432 -0.664) 2.521 7.801 ( -0.000 -6.710 3.792) 7.708 8.168 ( 0.000 -3.381 -2.223) 4.047======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.860 ( 0.047 19.945 6.398) 20.946 0.926 ( -1.609 12.135 18.334) 22.045 1.590 ( 12.095 9.475 15.129) 21.563 1.679 ( 7.031 1.965 -4.780) 8.726 1.944 ( 7.677 19.142 -2.154) 20.736 2.929 ( -1.691 -3.779 -6.072) 7.349 4.980 ( 2.577 4.283 1.140) 5.127 6.048 ( -1.400 -3.887 -2.551) 4.856 6.121 ( -1.050 -2.452 -1.084) 2.880 6.261 ( 10.270 16.507 -18.721) 26.990 7.679 ( -5.163 -11.175 6.221) 13.792 8.101 ( -3.484 -0.915 -5.705) 6.747======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 0.816 12.463 11.507) 16.982 1.109 ( 3.502 14.739 2.218) 15.311 1.765 ( 7.070 2.418 -1.615) 7.644 1.857 ( 4.929 6.275 1.233) 8.074 2.408 ( 17.345 18.416 0.270) 25.300 2.912 ( 3.895 2.077 -2.962) 5.316 5.094 ( 4.256 5.896 1.054) 7.348 5.920 ( -5.443 -4.948 -1.498) 7.507 6.066 ( -1.823 -2.265 -0.526) 2.955 6.502 ( 8.607 5.535 -10.559) 14.704 7.454 ( -9.181 -12.162 6.586) 16.600 7.997 ( -4.835 -1.138 -6.954) 8.545======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( 3.690 8.043 5.942) 10.660 1.315 ( 3.763 13.039 -2.383) 13.779 1.896 ( 4.903 1.891 -0.370) 5.268 2.020 ( 6.079 8.855 -0.379) 10.747 2.702 ( 4.968 3.222 -4.325) 7.333 3.179 ( 16.146 13.068 3.416) 21.051 5.242 ( 4.495 7.164 0.760) 8.491 5.781 ( -4.606 -3.407 -1.599) 5.948 6.022 ( -1.083 -0.625 -0.425) 1.320 6.607 ( 3.819 -0.297 -6.281) 7.357 7.163 ( -12.677 -11.400 4.395) 17.606 7.891 ( -3.018 -1.857 -4.583) 5.793======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 3.655 5.710 1.815) 7.018 1.495 ( 5.000 10.602 -3.918) 12.359 1.970 ( 2.720 0.670 -0.558) 2.857 2.231 ( 6.263 10.283 0.285) 12.043 2.729 ( -0.956 -1.092 -1.247) 1.913 3.591 ( 14.440 10.903 2.128) 18.218 5.382 ( 2.630 7.520 0.181) 7.969 5.704 ( -0.873 -0.935 -1.380) 1.882 6.021 ( 0.869 1.023 -0.028) 1.342 6.610 ( 0.664 -2.377 -5.138) 5.700 6.826 ( -14.741 -9.369 2.251) 17.611 7.839 ( 0.259 -2.378 -1.176) 2.665======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 1.491 4.338 -0.257) 4.595 1.686 ( 7.287 8.565 -4.837) 12.242 2.008 ( 1.668 -0.080 -0.895) 1.894 2.413 ( 3.276 7.755 0.865) 8.463 2.655 ( -5.801 -0.818 0.602) 5.889 3.884 ( 8.984 5.920 1.574) 10.874 5.477 ( -0.149 7.239 -0.447) 7.254 5.729 ( 3.901 1.268 -1.137) 4.257 6.064 ( 2.018 1.386 0.513) 2.502 6.485 ( -12.293 -6.692 -1.226) 14.050 6.594 ( -1.188 -1.611 -0.991) 2.234 7.835 ( 1.947 -2.731 0.631) 3.413======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( -0.010 3.294 -0.748) 3.378 1.876 ( 7.735 5.836 -6.008) 11.401 2.022 ( 0.867 -0.527 -1.696) 1.976 2.444 ( -3.814 -3.554 3.012) 6.021 2.584 ( -5.593 9.138 -0.069) 10.714 4.032 ( 3.304 1.460 1.876) 4.070 5.523 ( -2.224 6.775 -0.680) 7.163 5.837 ( 6.435 0.998 -1.619) 6.711 6.104 ( 1.142 0.765 0.756) 1.569 6.243 ( -9.245 -2.426 1.929) 9.750 6.580 ( 0.883 -0.517 -1.565) 1.870 7.847 ( 2.220 -2.821 1.174) 3.777======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( -1.182 2.067 -0.497) 2.432 1.979 ( 0.316 -0.627 -0.929) 1.165 2.039 ( 3.175 -0.256 -5.916) 6.718 2.352 ( -1.926 -1.139 2.938) 3.693 2.566 ( -7.846 8.782 -0.470) 11.785 4.037 ( -3.218 -2.270 2.000) 4.416 5.532 ( -3.808 5.704 -0.462) 6.874 5.886 ( 0.498 -4.131 -0.527) 4.194 6.126 ( -3.824 0.715 0.659) 3.946 6.182 ( 4.689 4.708 1.068) 6.729 6.605 ( 2.715 0.228 -0.880) 2.863 7.864 ( 2.599 -2.532 1.582) 3.958======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( -2.331 0.140 0.426) 2.374 1.917 ( -5.033 -2.897 1.785) 6.075 2.019 ( -1.346 -2.991 -1.584) 3.642 2.356 ( -3.039 -0.578 0.125) 3.096 2.528 ( -2.001 9.046 -2.785) 9.674 3.877 ( -11.571 -5.597 1.475) 12.938 5.497 ( -5.728 3.365 0.039) 6.643 5.832 ( -0.976 -3.549 1.629) 4.026 6.061 ( -3.964 0.193 0.606) 4.015 6.357 ( 7.627 6.112 -3.728) 10.461 6.684 ( 6.021 1.234 0.280) 6.153 7.904 ( 3.986 -1.734 2.174) 4.861======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( -4.122 -3.268 2.645) 5.888 1.770 ( -9.249 -3.045 3.943) 10.505 1.946 ( -3.370 -3.131 -1.190) 4.752 2.194 ( -12.404 -0.384 -0.086) 12.411 2.658 ( 6.660 5.623 -4.062) 9.616 3.530 ( -20.702 -8.116 0.966) 22.257 5.396 ( -7.997 0.221 0.557) 8.020 5.813 ( 1.288 -1.418 1.575) 2.480 6.013 ( -1.982 1.030 -0.083) 2.235 6.511 ( 5.422 4.431 -6.230) 9.372 6.846 ( 9.991 2.719 1.215) 10.426 7.982 ( 5.614 -0.810 1.997) 6.014======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -0.000 18.192 5.722) 19.070 1.169 ( -0.000 14.060 13.186) 19.275 1.610 ( 0.000 2.524 -8.469) 8.837 1.632 ( -0.000 11.745 16.639) 20.367 2.086 ( 0.000 23.242 -1.400) 23.284 2.883 ( 0.000 -3.328 -6.717) 7.496 5.009 ( -0.000 5.697 1.015) 5.787 6.012 ( 0.000 -3.745 -1.642) 4.090 6.100 ( 0.000 -3.729 -0.636) 3.783 6.287 ( 0.000 14.426 -15.332) 21.052 7.611 ( -0.000 -14.285 5.891) 15.452 8.111 ( 0.000 -0.409 -6.267) 6.280======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -0.772 14.544 3.739) 15.037 1.281 ( -3.844 13.199 9.298) 16.597 1.678 ( 5.392 5.548 -4.459) 8.929 1.834 ( 5.756 6.800 5.328) 10.381 2.394 ( 7.659 22.150 -1.720) 23.500 2.869 ( 2.436 2.791 -2.995) 4.764 5.102 ( 2.858 7.077 1.054) 7.705 5.938 ( -2.935 -5.274 -1.164) 6.147 6.057 ( -0.461 -3.060 -0.511) 3.136 6.410 ( 4.983 6.825 -9.871) 12.994 7.445 ( -3.764 -15.220 5.620) 16.655 8.051 ( -3.986 -0.640 -6.691) 7.815======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -1.716 8.419 7.054) 11.117 1.415 ( 0.177 14.030 -1.727) 14.137 1.833 ( 5.227 4.705 0.252) 7.037 2.010 ( 6.149 9.186 -0.195) 11.056 2.640 ( 4.929 5.189 -5.461) 9.002 3.092 ( 11.463 16.365 3.330) 20.256 5.250 ( 4.479 8.706 1.254) 9.870 5.818 ( -4.356 -4.051 -1.489) 6.132 6.025 ( -0.366 -1.309 -0.780) 1.567 6.508 ( 4.659 0.088 -5.957) 7.563 7.219 ( -6.927 -14.239 4.503) 16.462 7.934 ( -5.447 -1.589 -5.510) 7.909======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.702 7.449 5.174) 9.096 1.543 ( 1.311 11.185 -3.943) 11.932 1.927 ( 2.779 1.192 0.111) 3.025 2.241 ( 6.664 12.655 0.444) 14.309 2.708 ( 2.256 0.543 -2.562) 3.456 3.484 ( 12.615 14.542 2.004) 19.356 5.422 ( 3.694 9.839 1.265) 10.586 5.718 ( -2.757 -1.796 -1.233) 3.514 6.018 ( 0.440 0.689 -1.138) 1.401 6.537 ( 2.549 -3.022 -4.689) 6.133 6.952 ( -10.123 -11.413 2.766) 15.504 7.822 ( -2.849 -2.963 -2.781) 4.963======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 0.284 6.511 2.801) 7.093 1.674 ( 3.474 9.267 -3.496) 10.496 1.971 ( 1.975 -0.206 -0.468) 2.040 2.444 ( 3.068 7.475 1.482) 8.215 2.736 ( -0.813 5.179 -0.991) 5.335 3.794 ( 9.375 7.952 1.066) 12.340 5.565 ( 0.813 9.731 0.886) 9.805 5.692 ( 0.915 0.589 -0.689) 1.288 6.046 ( 1.620 1.469 -1.085) 2.441 6.515 ( -0.185 -3.727 -4.439) 5.799 6.680 ( -10.326 -6.256 2.127) 12.259 7.766 ( 1.038 -4.306 -0.428) 4.449======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( -1.099 5.620 0.957) 5.806 1.818 ( 4.674 6.752 -3.549) 8.945 1.992 ( 1.329 -0.911 -0.884) 1.838 2.472 ( -2.129 -2.779 2.192) 4.130 2.798 ( -4.286 14.978 -0.762) 15.598 3.975 ( 5.603 1.842 1.313) 6.042 5.650 ( -2.081 9.175 0.432) 9.418 5.748 ( 4.190 1.026 -0.519) 4.345 6.086 ( 1.877 0.654 -0.878) 2.173 6.380 ( -8.510 -2.852 -0.152) 8.977 6.566 ( -0.726 -0.536 -0.727) 1.159 7.759 ( 3.176 -4.977 0.558) 5.930======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( -2.410 4.451 0.396) 5.077 1.933 ( 3.873 2.559 -3.796) 5.997 1.993 ( 0.564 -1.279 -1.754) 2.242 2.391 ( -3.191 -2.827 2.773) 5.086 2.837 ( -9.054 15.203 -0.683) 17.708 4.038 ( 1.344 -2.127 1.681) 3.026 5.680 ( -4.293 7.666 0.319) 8.792 5.818 ( 2.940 -1.622 -0.532) 3.399 6.128 ( 3.051 1.055 -1.844) 3.718 6.251 ( -5.823 2.495 2.600) 6.848 6.567 ( 1.110 -0.032 -1.203) 1.637 7.773 ( 3.827 -4.906 0.858) 6.281======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -3.751 2.283 0.558) 4.427 1.953 ( -1.536 -1.479 0.201) 2.142 1.984 ( 1.040 -1.892 -3.931) 4.485 2.360 ( 0.366 0.328 2.003) 2.062 2.780 ( -12.349 11.774 -0.879) 17.085 3.982 ( -5.127 -4.029 1.397) 6.669 5.655 ( -6.283 5.193 0.613) 8.174 5.805 ( -0.351 -3.417 0.307) 3.449 6.141 ( -3.125 1.028 -0.863) 3.401 6.296 ( 4.791 6.421 -0.740) 8.045 6.601 ( 3.719 -0.418 -0.324) 3.756 7.802 ( 4.637 -4.176 1.003) 6.320======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( -5.082 -0.984 1.702) 5.449 1.876 ( -5.350 -2.124 0.491) 5.777 1.953 ( -1.101 -1.994 -1.980) 3.018 2.365 ( -4.077 0.746 1.439) 4.388 2.689 ( -6.276 7.573 -1.787) 9.997 3.778 ( -14.040 -4.498 0.942) 14.773 5.563 ( -8.926 2.219 0.932) 9.245 5.774 ( 0.745 -2.720 0.413) 2.850 6.082 ( -4.255 1.523 -0.441) 4.541 6.449 ( 5.612 5.701 -4.492) 9.175 6.702 ( 8.320 -0.020 1.350) 8.429 7.861 ( 6.121 -3.088 0.561) 6.879======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( -0.000 3.794 3.208) 4.968 1.415 ( -0.000 14.429 0.798) 14.452 1.711 ( 0.000 12.690 -2.771) 12.989 1.859 ( -0.000 5.378 5.550) 7.728 2.519 ( 0.000 14.268 -5.702) 15.366 2.908 ( -0.000 12.696 2.101) 12.869 5.149 ( -0.000 7.454 0.571) 7.476 5.911 ( 0.000 -4.636 -1.177) 4.783 6.026 ( 0.000 -3.009 -0.314) 3.025 6.402 ( 0.000 4.175 -6.640) 7.844 7.331 ( -0.000 -16.327 4.404) 16.911 8.062 ( 0.000 -0.817 -6.301) 6.353======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( -0.756 3.286 0.347) 3.389 1.543 ( -0.351 11.348 -2.263) 11.577 1.847 ( 0.852 8.740 2.218) 9.057 1.982 ( 6.698 8.184 -0.333) 10.581 2.604 ( 2.242 3.002 -4.575) 5.914 3.149 ( 5.172 21.815 3.995) 22.773 5.262 ( 3.928 7.936 0.532) 8.871 5.838 ( -2.795 -3.516 -1.854) 4.859 6.006 ( 0.451 -1.365 -0.360) 1.483 6.432 ( 2.273 0.053 -3.503) 4.176 7.157 ( -2.512 -15.780 3.172) 16.291 7.994 ( -4.325 -1.311 -5.405) 7.045======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 1.695 4.384 1.699) 4.998 1.628 ( -0.161 9.214 -4.313) 10.175 1.914 ( 0.827 2.251 1.232) 2.697 2.236 ( 8.725 12.556 0.331) 15.293 2.655 ( 3.295 0.279 -1.432) 3.604 3.480 ( 7.298 18.503 2.058) 19.996 5.438 ( 5.974 8.746 0.898) 10.630 5.751 ( -3.232 -1.563 -1.759) 3.998 6.010 ( 0.676 0.585 -1.192) 1.490 6.451 ( 2.385 -2.716 -2.086) 4.173 6.956 ( -4.417 -13.610 2.036) 14.453 7.869 ( -6.036 -2.002 -3.807) 7.412======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 2.086 5.245 2.905) 6.348 1.710 ( 1.485 7.825 -3.870) 8.855 1.944 ( 0.959 0.414 0.348) 1.101 2.456 ( 3.409 5.345 1.667) 6.555 2.757 ( 6.064 7.502 -0.605) 9.666 3.751 ( 6.013 10.821 0.588) 12.393 5.621 ( 3.906 8.217 1.152) 9.171 5.703 ( -0.936 1.246 -0.862) 1.781 6.030 ( 0.989 1.256 -2.153) 2.681 6.454 ( 1.945 -2.642 -1.858) 3.770 6.753 ( -5.925 -9.433 1.374) 11.224 7.744 ( -3.838 -3.158 -1.889) 5.317======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( -0.048 5.646 1.795) 5.925 1.812 ( 2.923 5.887 -2.049) 6.884 1.960 ( 0.985 -0.554 -0.175) 1.143 2.477 ( -1.173 -2.652 1.621) 3.322 2.979 ( 3.240 16.669 -0.349) 16.985 3.903 ( 4.159 2.181 0.368) 4.711 5.705 ( 1.797 2.397 0.362) 3.018 5.762 ( 0.220 6.884 0.692) 6.923 6.050 ( 1.463 -0.465 -2.471) 2.909 6.449 ( -1.229 -0.162 -1.078) 1.643 6.597 ( -3.985 -3.104 0.759) 5.108 7.671 ( 0.289 -4.630 -0.477) 4.663======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( -2.196 5.554 1.180) 6.087 1.897 ( 2.454 2.465 -2.117) 4.072 1.965 ( 0.700 -1.120 -0.493) 1.409 2.415 ( -2.328 -3.110 1.582) 4.195 3.143 ( -5.516 18.455 -0.485) 19.268 3.959 ( 3.936 -4.287 0.887) 5.887 5.759 ( 1.463 0.127 0.039) 1.469 5.812 ( -1.300 6.083 1.190) 6.333 6.063 ( 2.850 -2.017 -2.518) 4.305 6.399 ( -5.565 4.359 1.592) 7.246 6.560 ( -0.341 0.285 -1.156) 1.239 7.654 ( 3.364 -5.356 0.120) 6.326======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( -4.607 3.706 1.087) 6.011 1.933 ( 1.634 -0.559 -2.434) 2.984 1.958 ( -0.191 -1.071 -0.448) 1.176 2.369 ( -0.794 -0.892 1.903) 2.247 3.136 ( -13.474 13.616 -0.447) 19.161 3.968 ( 2.026 -5.150 0.869) 5.602 5.747 ( -1.344 -1.283 0.482) 1.919 5.832 ( -3.097 2.870 0.866) 4.311 6.112 ( 4.926 -0.238 -3.178) 5.867 6.379 ( -4.377 7.629 1.995) 9.019 6.553 ( 0.632 -1.184 -0.999) 1.673 7.675 ( 4.738 -4.620 0.108) 6.619======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( -6.246 0.390 1.431) 6.419 1.920 ( -2.144 -1.558 -2.095) 3.378 1.943 ( 0.077 -0.045 -0.505) 0.513 2.383 ( 1.406 0.581 2.267) 2.730 2.970 ( -15.773 6.160 -0.307) 16.936 3.911 ( -4.928 -2.882 0.376) 5.721 5.703 ( -3.367 -0.541 0.765) 3.495 5.772 ( -4.340 -0.369 0.386) 4.373 6.152 ( -1.212 0.915 -2.980) 3.344 6.425 ( 1.929 6.357 -0.908) 6.705 6.578 ( 4.771 -2.060 1.036) 5.299 7.726 ( 5.595 -2.978 -0.479) 6.356======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 0.000 0.783 -2.732) 2.842 1.638 ( 0.000 8.806 -5.204) 10.228 1.932 ( 0.000 1.247 -0.581) 1.376 1.996 ( -0.000 14.149 1.189) 14.199 2.596 ( 0.000 0.578 -0.360) 0.681 3.350 ( -0.000 23.308 3.377) 23.551 5.294 ( 0.000 6.345 -0.277) 6.351 5.826 ( 0.000 -2.415 -2.999) 3.851 5.994 ( -0.000 0.166 0.347) 0.385 6.405 ( 0.000 -0.980 -0.455) 1.080 7.026 ( -0.000 -15.572 1.494) 15.643 8.006 ( 0.000 -1.352 -4.649) 4.842======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 2.600 1.601 -1.738) 3.514 1.689 ( 0.136 5.852 -7.271) 9.334 1.935 ( -0.319 1.434 0.410) 1.525 2.209 ( 7.704 12.232 0.465) 14.464 2.608 ( 1.407 -1.175 2.377) 3.002 3.601 ( 2.345 19.752 1.789) 19.971 5.402 ( 5.747 5.564 -0.328) 8.006 5.779 ( -2.069 -0.812 -3.235) 3.925 6.010 ( 0.346 1.969 0.021) 1.999 6.399 ( 0.740 -2.204 1.332) 2.680 6.867 ( -1.345 -13.821 0.184) 13.888 7.939 ( -4.488 -1.388 -3.577) 5.905======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( 4.899 2.770 0.522) 5.652 1.737 ( 1.686 4.848 -5.488) 7.514 1.947 ( -0.132 0.977 0.727) 1.225 2.447 ( 4.774 6.123 1.435) 7.895 2.675 ( 8.282 2.796 1.413) 8.855 3.811 ( 1.779 13.285 0.379) 13.409 5.587 ( 8.271 5.580 -0.005) 9.978 5.734 ( -1.836 0.994 -2.226) 3.052 6.035 ( -0.167 2.308 -1.015) 2.527 6.396 ( 1.458 -2.366 1.553) 3.183 6.715 ( -1.834 -10.588 -0.251) 10.749 7.815 ( -6.687 -1.369 -2.373) 7.226======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 4.142 3.276 0.818) 5.344 1.811 ( 2.586 4.294 -2.051) 5.416 1.952 ( -0.165 0.269 0.367) 0.484 2.477 ( -1.159 -2.142 1.625) 2.928 2.969 ( 13.834 11.004 0.260) 17.678 3.913 ( -0.999 5.386 -0.270) 5.485 5.716 ( 0.155 2.754 -0.306) 2.776 5.778 ( 5.029 4.340 -0.255) 6.648 6.034 ( -1.076 0.198 -1.588) 1.928 6.427 ( 3.263 -0.059 0.592) 3.317 6.601 ( -1.434 -5.838 0.275) 6.018 7.683 ( -5.611 -1.832 -1.238) 6.031======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( 1.764 4.264 0.452) 4.637 1.875 ( 1.409 1.191 -0.526) 1.918 1.951 ( 0.044 -0.219 0.035) 0.226 2.424 ( -1.861 -2.809 0.733) 3.448 3.307 ( 8.871 14.828 0.116) 17.279 3.884 ( -2.650 -3.730 -0.119) 4.577 5.749 ( 0.776 1.681 0.248) 1.868 5.872 ( 1.267 4.059 0.436) 4.275 5.999 ( -0.292 -2.729 -1.607) 3.181 6.489 ( 0.761 2.906 0.307) 3.020 6.560 ( 0.527 -0.932 0.103) 1.075 7.590 ( -1.832 -2.798 -0.389) 3.367======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -3.224 3.838 0.912) 5.095 1.888 ( 2.004 -1.634 -1.067) 2.797 1.950 ( 0.106 -0.219 -0.087) 0.258 2.377 ( -1.045 -1.463 0.710) 1.933 3.487 ( -9.337 14.702 -0.114) 17.417 3.817 ( 6.332 -9.488 0.243) 11.410 5.755 ( -0.840 -0.484 0.371) 1.038 5.906 ( -2.375 2.019 1.110) 3.309 6.005 ( 5.174 -0.686 -2.183) 5.657 6.511 ( -1.100 3.109 1.358) 3.566 6.555 ( -2.316 0.432 -0.990) 2.555 7.569 ( 2.489 -2.449 -0.178) 3.497======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -5.901 -1.049 0.839) 6.052 1.918 ( 0.854 1.238 -1.290) 1.982 1.949 ( -0.188 0.257 0.068) 0.325 2.368 ( 0.872 -0.547 1.581) 1.886 3.299 ( -17.091 0.488 0.230) 17.099 3.892 ( 4.460 -0.753 -0.203) 4.528 5.729 ( -1.603 -0.159 0.583) 1.713 5.854 ( -3.891 -1.263 0.257) 4.099 6.109 ( 5.087 1.876 -2.865) 6.133 6.481 ( -2.414 -3.681 -0.359) 4.416 6.533 ( -0.911 3.464 1.466) 3.870 7.617 ( 4.487 -0.331 -0.694) 4.553======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 0.000 0.986 -2.292) 2.495 1.699 ( 0.000 2.531 -9.585) 9.914 1.953 ( -0.000 1.399 0.752) 1.588 2.255 ( -0.000 10.737 0.831) 10.769 2.591 ( -0.000 -2.511 4.576) 5.220 3.775 ( -0.000 17.087 0.813) 17.106 5.385 ( 0.000 3.154 -0.704) 3.232 5.783 ( 0.000 0.338 -4.007) 4.021 6.038 ( -0.000 3.491 0.610) 3.544 6.381 ( -0.000 -2.195 3.410) 4.055 6.744 ( 0.000 -12.019 -1.435) 12.104 7.957 ( 0.000 -1.167 -2.847) 3.077======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 4.346 1.460 -0.793) 4.653 1.714 ( 2.309 2.250 -6.562) 7.312 1.966 ( -0.373 1.204 1.062) 1.648 2.419 ( 6.345 7.785 0.433) 10.052 2.586 ( 2.319 -2.904 3.804) 5.318 3.928 ( 0.169 12.161 -0.216) 12.165 5.478 ( 7.427 2.545 -0.492) 7.866 5.769 ( -1.398 1.666 -2.964) 3.676 6.072 ( -0.583 3.446 0.068) 3.495 6.367 ( 0.129 -2.788 3.261) 4.292 6.630 ( -0.402 -8.518 -1.737) 8.702 7.900 ( -4.406 -0.772 -2.050) 4.920======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 6.166 1.429 -0.180) 6.332 1.785 ( 3.835 3.168 -1.806) 5.292 1.968 ( -0.774 0.523 0.772) 1.211 2.484 ( -1.246 -1.853 1.330) 2.599 2.774 ( 15.916 4.639 0.731) 16.594 4.008 ( -1.965 6.546 -0.757) 6.876 5.664 ( 10.085 2.578 -0.498) 10.421 5.758 ( -1.273 2.336 -1.220) 2.927 6.075 ( -2.189 1.786 -0.227) 2.835 6.360 ( 2.312 -3.025 1.361) 4.043 6.559 ( -0.115 -3.923 -0.452) 3.951 7.788 ( -6.974 -0.259 -1.267) 7.093======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 5.750 1.021 -0.645) 5.876 1.869 ( 1.910 2.119 0.781) 2.958 1.957 ( -0.767 -0.025 0.377) 0.855 2.431 ( -1.845 -2.541 -0.086) 3.141 3.134 ( 19.074 4.428 0.392) 19.585 3.975 ( -6.372 1.485 -0.724) 6.583 5.762 ( -0.438 1.338 -0.191) 1.421 5.831 ( 6.224 1.823 -0.846) 6.540 6.033 ( -3.770 0.462 0.722) 3.866 6.420 ( 6.888 -1.081 -0.594) 6.997 6.541 ( 0.252 -0.828 0.847) 1.211 7.660 ( -6.915 -0.011 -0.474) 6.932======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 4.768 -0.760 -0.760) 4.887 1.879 ( -2.030 0.766 0.857) 2.333 1.949 ( -0.143 -0.018 0.089) 0.169 2.383 ( -1.199 -1.284 -0.553) 1.842 3.486 ( 17.575 -0.578 0.077) 17.584 3.819 ( -11.684 0.586 -0.188) 11.700 5.758 ( -0.146 -0.738 -0.375) 0.841 5.917 ( 2.798 -1.643 -1.162) 3.446 5.986 ( -2.541 4.062 2.047) 5.210 6.521 ( 1.486 0.540 -0.745) 1.747 6.548 ( 3.153 -1.470 0.503) 3.515 7.567 ( -3.367 0.745 0.145) 3.451======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -2.836 -4.912 -0.000) 5.672 1.915 ( 2.036 3.527 -0.000) 4.073 1.952 ( 0.229 0.397 -0.000) 0.458 2.358 ( -0.425 -0.736 -0.000) 0.850 3.490 ( -8.421 -14.586 -0.000) 16.842 3.810 ( 5.239 9.074 -0.000) 10.478 5.751 ( -0.009 -0.015 0.000) 0.018 5.877 ( -1.944 -3.366 -0.000) 3.887 6.060 ( 2.905 5.032 0.000) 5.811 6.469 ( -3.080 -5.336 0.000) 6.161 6.583 ( 0.197 0.341 -0.000) 0.394 7.573 ( 1.675 2.902 -0.000) 3.351======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 0.000 1.161 -0.520) 1.272 1.697 ( 0.000 2.732 -3.352) 4.325 1.984 ( -0.000 0.763 1.144) 1.375 2.425 ( -0.000 5.683 0.244) 5.688 2.544 ( -0.000 -4.385 2.971) 5.297 4.030 ( 0.000 8.472 -0.963) 8.526 5.424 ( 0.000 1.289 -0.066) 1.290 5.796 ( 0.000 2.671 -1.862) 3.256 6.111 ( 0.000 2.966 -0.076) 2.967 6.341 ( -0.000 -4.108 1.394) 4.338 6.564 ( 0.000 -4.290 -0.903) 4.384 7.927 ( 0.000 -0.484 -1.606) 1.678======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 4.550 0.863 -0.047) 4.632 1.757 ( 2.876 4.366 1.372) 5.405 1.986 ( -0.570 0.066 0.966) 1.123 2.483 ( -0.606 -2.115 0.089) 2.202 2.571 ( 9.796 0.756 0.706) 9.850 4.084 ( -0.825 4.015 -1.370) 4.322 5.510 ( 8.145 1.045 0.140) 8.213 5.809 ( -1.486 2.943 0.084) 3.298 6.123 ( -1.171 1.444 -0.407) 1.903 6.300 ( 0.640 -4.170 -1.431) 4.454 6.539 ( -0.201 -0.623 0.936) 1.143 7.883 ( -4.130 0.074 -1.173) 4.294======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 6.030 -0.157 -0.629) 6.064 1.860 ( 2.464 3.630 3.482) 5.602 1.973 ( -0.918 -0.459 0.675) 1.228 2.431 ( -1.382 -2.698 -1.567) 3.412 2.826 ( 17.617 -0.161 0.489) 17.624 4.067 ( -3.108 0.080 -1.316) 3.376 5.688 ( 9.924 0.131 -0.552) 9.940 5.803 ( -1.791 1.520 0.974) 2.543 6.103 ( -2.411 1.206 0.886) 2.838 6.296 ( 4.041 -2.067 -2.233) 5.058 6.543 ( -0.240 0.949 1.366) 1.680 7.787 ( -6.793 0.691 -0.616) 6.856======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 5.617 -2.093 -1.119) 6.098 1.910 ( -0.410 0.936 2.566) 2.762 1.955 ( -0.575 -0.487 0.229) 0.787 2.387 ( -0.868 -0.811 -2.025) 2.348 3.132 ( 18.743 -4.770 0.315) 19.343 3.976 ( -5.890 -1.017 -0.682) 6.016 5.752 ( -0.564 -1.641 -0.641) 1.850 5.839 ( 4.525 -1.373 -0.526) 4.758 6.084 ( -2.689 3.530 3.116) 5.422 6.396 ( 8.489 -0.240 -1.743) 8.669 6.544 ( -1.237 0.459 0.857) 1.573 7.675 ( -6.693 1.613 0.142) 6.886======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( -0.000 0.957 0.982) 1.371 1.798 ( -0.000 6.522 5.764) 8.705 1.991 ( -0.000 -0.662 0.926) 1.139 2.461 ( 0.000 -4.023 -1.563) 4.316 2.480 ( 0.000 -0.250 -0.139) 0.286 4.106 ( 0.000 -0.004 -1.769) 1.769 5.444 ( -0.000 0.543 0.822) 0.985 5.858 ( -0.000 2.786 2.145) 3.516 6.135 ( 0.000 -0.471 -0.933) 1.045 6.249 ( 0.000 -2.536 -4.226) 4.929 6.553 ( -0.000 1.708 2.171) 2.762 7.919 ( 0.000 0.514 -1.149) 1.259======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 3.397 0.148 0.677) 3.467 1.895 ( 0.610 5.631 7.374) 9.298 1.979 ( -0.494 -1.394 0.689) 1.632 2.414 ( -0.539 -2.425 -3.375) 4.190 2.560 ( 10.845 -2.703 0.155) 11.178 4.073 ( -0.700 -4.141 -1.811) 4.574 5.522 ( 7.729 -0.269 0.621) 7.759 5.860 ( -2.589 0.464 2.132) 3.385 6.125 ( 0.423 -1.272 0.096) 1.344 6.235 ( 1.074 0.977 -3.853) 4.118 6.578 ( -0.768 3.152 1.960) 3.790 7.889 ( -3.926 1.151 -1.001) 4.212======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( 4.376 -1.889 -0.529) 4.796 1.942 ( -1.107 0.512 5.094) 5.238 1.954 ( -0.499 -1.357 -0.064) 1.448 2.384 ( -0.178 -0.017 -3.107) 3.112 2.773 ( 16.505 -5.004 0.681) 17.260 3.994 ( -1.279 -6.675 -1.301) 6.920 5.660 ( 8.185 -2.726 -0.593) 8.647 5.805 ( -2.646 -1.596 0.406) 3.117 6.127 ( 1.063 -1.160 2.049) 2.583 6.297 ( 3.615 4.633 -0.959) 5.955 6.595 ( -1.955 3.684 0.827) 4.252 7.809 ( -6.373 1.882 -0.471) 6.662======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -0.000 0.179 1.254) 1.267 1.964 ( -0.000 -2.780 1.492) 3.155 1.977 ( -0.000 4.507 7.546) 8.790 2.399 ( 0.000 1.385 -3.706) 3.956 2.414 ( 0.000 -6.121 -0.208) 6.124 4.005 ( 0.000 -9.089 -2.020) 9.311 5.450 ( -0.000 -0.811 1.008) 1.294 5.889 ( -0.000 -1.500 1.563) 2.167 6.086 ( 0.000 -3.380 -1.112) 3.558 6.251 ( 0.000 5.230 -1.546) 5.453 6.634 ( -0.000 5.060 1.705) 5.340 7.935 ( 0.000 1.929 -1.385) 2.375======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 1.711 -1.308 0.168) 2.160 1.926 ( -0.124 -4.664 -0.108) 4.667 1.994 ( -2.090 -0.692 3.967) 4.537 2.365 ( 1.478 -3.597 -1.796) 4.284 2.509 ( 9.048 1.328 1.321) 9.240 3.891 ( 0.748 -13.104 -1.707) 13.236 5.496 ( 6.182 -2.976 0.231) 6.865 5.841 ( -2.852 -2.014 -0.362) 3.510 6.066 ( 1.954 -3.557 -0.497) 4.089 6.329 ( 1.279 7.623 2.317) 8.069 6.683 ( -1.652 6.509 0.572) 6.740 7.920 ( -3.837 2.715 -1.378) 4.898======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 0.000 -1.746 -0.379) 1.787 1.859 ( 0.000 -8.055 -2.467) 8.424 2.000 ( -0.000 -3.586 0.801) 3.675 2.243 ( -0.000 -10.529 0.395) 10.536 2.530 ( -0.000 10.068 3.578) 10.685 3.715 ( 0.000 -18.756 -1.590) 18.823 5.408 ( -0.000 -4.092 0.188) 4.097 5.845 ( 0.000 -1.653 -1.758) 2.413 6.014 ( 0.000 -2.615 -0.305) 2.632 6.407 ( -0.000 7.989 4.778) 9.309 6.776 ( 0.000 8.616 -0.064) 8.616 7.980 ( 0.000 3.619 -2.114) 4.191======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( -0.000 0.000 20.840) 20.840 0.598 ( -0.000 0.000 20.840) 20.840 1.100 ( -0.000 0.000 39.549) 39.549 1.637 ( 0.000 -0.000 -5.937) 5.937 1.637 ( 0.000 -0.000 -5.937) 5.937 3.344 ( 0.000 -0.000 -15.829) 15.829 4.894 ( -0.000 0.000 1.273) 1.273 4.894 ( -0.000 0.000 1.273) 1.273 6.192 ( 0.000 -0.000 -0.683) 0.683 6.192 ( 0.000 -0.000 -0.683) 0.683 7.855 ( -0.000 0.000 2.204) 2.204 8.238 ( 0.000 -0.000 -0.765) 0.765======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( 4.368 2.522 17.098) 17.827 0.829 ( 5.475 3.161 22.196) 23.079 1.437 ( 17.516 10.113 27.719) 34.314 1.667 ( 6.354 3.669 -7.946) 10.815 1.671 ( 2.914 1.682 -5.089) 6.101 3.020 ( -10.358 -5.980 -7.214) 13.967 4.928 ( 2.454 1.417 1.243) 3.094 5.680 ( 39.316 22.699 -24.374) 51.527 6.142 ( -3.896 -2.249 -0.966) 4.601 6.168 ( -1.921 -1.109 -0.686) 2.322 7.828 ( -3.957 -2.284 3.570) 5.798 8.143 ( -5.951 -3.436 -1.901) 7.129======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 9.659 5.576 10.038) 15.005 0.992 ( 4.113 2.374 17.411) 18.047 1.726 ( 6.196 3.578 0.389) 7.166 1.746 ( 4.874 2.814 -3.878) 6.835 2.077 ( 24.366 14.068 6.694) 28.921 2.883 ( -0.386 -0.223 -7.390) 7.404 5.013 ( 4.548 2.626 1.026) 5.351 6.006 ( -6.163 -3.558 -1.334) 7.240 6.107 ( -2.903 -1.676 -0.646) 3.414 6.282 ( 18.914 10.920 -15.917) 27.025 7.669 ( -10.953 -6.324 7.086) 14.497 8.009 ( -4.357 -2.515 -6.529) 8.242======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 9.142 5.278 4.643) 11.533 1.142 ( 5.895 3.404 8.122) 10.597 1.854 ( 4.913 2.836 -0.936) 5.749 1.878 ( 7.496 4.328 -2.234) 8.939 2.571 ( 14.259 8.233 -1.619) 16.545 2.985 ( 12.103 6.988 -0.091) 13.976 5.138 ( 5.873 3.391 0.692) 6.816 5.850 ( -6.347 -3.665 -1.146) 7.418 6.043 ( -2.269 -1.310 -0.499) 2.668 6.543 ( 7.578 4.375 -8.760) 12.381 7.385 ( -14.973 -8.645 5.470) 18.134 7.907 ( -2.693 -1.555 -5.197) 6.056======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 6.257 3.612 1.107) 7.309 1.320 ( 8.190 4.729 1.740) 9.616 1.943 ( 3.086 1.782 -0.873) 3.668 2.071 ( 9.214 5.320 -0.743) 10.665 2.724 ( 2.213 1.278 -3.023) 3.959 3.380 ( 18.083 10.440 2.479) 21.027 5.275 ( 5.488 3.169 0.192) 6.340 5.730 ( -3.369 -1.945 -0.827) 3.978 6.012 ( -0.080 -0.046 -0.101) 0.137 6.612 ( 1.112 0.642 -6.321) 6.450 7.027 ( -16.574 -9.569 2.445) 19.294 7.861 ( -0.559 -0.323 -1.187) 1.351======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 3.849 2.222 -0.643) 4.491 1.524 ( 9.386 5.419 -2.128) 11.045 1.996 ( 1.753 1.012 -1.006) 2.260 2.276 ( 8.100 4.676 -0.025) 9.353 2.700 ( -3.570 -2.061 -0.598) 4.166 3.752 ( 12.994 7.502 1.791) 15.111 5.380 ( 3.561 2.056 -0.481) 4.140 5.705 ( 1.430 0.826 -0.520) 1.731 6.039 ( 2.106 1.216 0.556) 2.494 6.581 ( -3.110 -1.796 -6.575) 7.492 6.670 ( -12.885 -7.439 2.984) 15.174 7.863 ( 0.442 0.255 1.069) 1.185======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 2.261 1.305 -1.261) 2.899 1.734 ( 9.596 5.540 -5.427) 12.339 2.020 ( 0.650 0.375 -1.327) 1.524 2.426 ( 4.530 2.615 0.191) 5.234 2.572 ( -7.098 -4.098 1.277) 8.295 3.984 ( 6.582 3.800 1.994) 7.858 5.438 ( 1.808 1.044 -0.981) 2.306 5.786 ( 5.385 3.109 -1.035) 6.304 6.093 ( 1.886 1.089 1.086) 2.433 6.339 ( -10.973 -6.335 1.008) 12.710 6.583 ( -0.338 -0.195 -1.904) 1.944 7.878 ( 0.429 0.248 1.559) 1.636======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 1.045 0.603 -1.270) 1.752 1.925 ( 8.000 4.619 -7.126) 11.666 2.019 ( -0.028 -0.016 -2.580) 2.580 2.415 ( -6.099 -3.521 3.489) 7.860 2.477 ( -0.287 -0.166 0.208) 0.391 4.067 ( -0.043 -0.025 2.319) 2.319 5.463 ( 0.615 0.355 -1.085) 1.297 5.907 ( 3.889 2.245 -3.048) 5.427 6.115 ( -0.537 -0.310 1.225) 1.373 6.167 ( -3.192 -1.843 4.365) 5.713 6.590 ( 1.452 0.838 -1.690) 2.381 7.892 ( 0.537 0.310 1.621) 1.736======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( -0.099 -0.057 -0.803) 0.811 1.966 ( -2.619 -1.512 0.038) 3.024 2.045 ( 1.107 0.639 -5.960) 6.095 2.375 ( 3.266 1.885 1.278) 3.981 2.413 ( -5.224 -3.016 0.073) 6.033 3.986 ( -7.722 -4.458 2.102) 9.161 5.458 ( -0.874 -0.505 -0.800) 1.288 5.895 ( -2.736 -1.580 0.225) 3.167 6.077 ( -2.751 -1.589 0.948) 3.316 6.245 ( 7.027 4.057 -0.228) 8.117 6.646 ( 3.958 2.285 -0.974) 4.672 7.920 ( 1.550 0.895 1.987) 2.674======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( -0.000 11.832 15.767) 19.712 0.931 ( -0.000 13.176 16.789) 21.342 1.460 ( -0.000 10.833 31.030) 32.866 1.570 ( 0.000 -0.596 -8.449) 8.470 1.728 ( 0.000 11.396 -5.281) 12.560 2.996 ( 0.000 -11.774 -9.407) 15.071 4.928 ( -0.000 2.757 1.235) 3.021 5.600 ( 0.000 42.133 -19.941) 46.614 6.149 ( 0.000 -3.272 -1.342) 3.537 6.162 ( 0.000 -2.424 -0.679) 2.518 7.834 ( -0.000 -5.008 3.489) 6.103 8.148 ( 0.000 -5.646 -2.221) 6.067======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( -0.439 15.339 10.048) 18.342 1.095 ( -1.682 9.746 18.670) 21.128 1.601 ( 6.297 0.680 -7.732) 9.995 1.722 ( 5.992 6.326 7.164) 11.280 1.951 ( 11.327 20.424 5.893) 24.086 2.860 ( -1.303 -3.190 -9.300) 9.918 4.990 ( 2.563 4.252 1.141) 5.095 6.010 ( 5.792 6.036 -6.755) 10.752 6.098 ( 1.622 3.883 -5.427) 6.867 6.137 ( 2.384 4.480 -6.040) 7.889 7.735 ( -4.435 -10.524 6.085) 12.940 8.050 ( -4.290 -2.353 -5.742) 7.544======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 2.279 14.003 4.841) 14.991 1.192 ( -1.650 7.525 13.374) 15.434 1.740 ( 8.549 3.213 -3.393) 9.742 1.859 ( 3.343 6.762 -1.215) 7.641 2.417 ( 15.091 14.579 1.618) 21.045 2.881 ( 6.683 5.370 -3.790) 9.373 5.104 ( 4.128 5.984 1.019) 7.341 5.909 ( -5.472 -5.046 -1.031) 7.515 6.061 ( -1.817 -2.262 -0.615) 2.966 6.410 ( 10.241 7.883 -9.674) 16.143 7.512 ( -9.519 -12.836 6.083) 17.099 7.937 ( -4.348 -0.884 -6.220) 7.640======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 0.814 7.979 7.492) 10.975 1.307 ( 3.455 10.035 0.806) 10.644 1.891 ( 4.912 2.323 -0.619) 5.469 2.011 ( 6.386 9.440 -1.556) 11.503 2.665 ( 5.508 3.253 -3.984) 7.536 3.204 ( 16.345 13.395 2.060) 21.233 5.249 ( 4.195 7.332 0.821) 8.487 5.771 ( -4.539 -3.523 -0.642) 5.782 6.017 ( -0.890 -0.728 -0.596) 1.295 6.549 ( 4.305 0.627 -6.589) 7.896 7.197 ( -13.658 -11.902 3.156) 18.389 7.859 ( -1.562 -1.504 -2.476) 3.291======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( 1.295 6.151 2.876) 6.913 1.473 ( 4.924 9.081 -0.557) 10.345 1.963 ( 2.552 0.794 -0.849) 2.805 2.231 ( 6.446 10.783 -0.212) 12.565 2.714 ( 0.045 -0.471 -2.123) 2.175 3.608 ( 14.289 10.612 1.520) 17.863 5.384 ( 2.155 7.701 0.372) 8.006 5.697 ( -0.833 -1.032 -0.058) 1.328 6.020 ( 1.295 0.853 -0.220) 1.566 6.559 ( 0.586 -2.034 -5.975) 6.339 6.844 ( -14.761 -9.250 1.810) 17.514 7.836 ( 1.198 -2.409 0.597) 2.756======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( 0.418 4.807 0.368) 4.840 1.652 ( 6.144 8.018 -2.486) 10.403 1.999 ( 1.505 -0.035 -1.120) 1.876 2.419 ( 3.326 8.506 0.465) 9.145 2.654 ( -5.031 -0.939 -0.772) 5.176 3.899 ( 9.175 5.814 1.613) 10.981 5.473 ( -0.584 7.463 -0.237) 7.490 5.724 ( 3.646 1.140 -0.007) 3.819 6.068 ( 2.458 1.136 0.408) 2.738 6.464 ( -8.425 -5.192 -3.227) 10.409 6.593 ( -4.171 -2.490 0.647) 4.900 7.844 ( 2.231 -2.962 1.509) 4.003======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( -0.448 3.745 -0.513) 3.806 1.824 ( 6.650 6.193 -5.473) 10.608 2.008 ( 0.411 -0.649 -1.424) 1.618 2.466 ( -3.032 -2.721 1.985) 4.532 2.581 ( -5.377 8.586 -0.384) 10.138 4.050 ( 3.499 1.380 2.096) 4.306 5.517 ( -2.474 7.109 -0.602) 7.551 5.823 ( 5.639 1.028 -1.359) 5.891 6.112 ( 1.395 0.271 0.801) 1.631 6.262 ( -7.818 -2.314 2.244) 8.456 6.566 ( 0.828 -0.286 -1.700) 1.912 7.859 ( 2.336 -3.017 1.443) 4.079======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( -1.257 2.553 -0.681) 2.926 1.957 ( 4.629 2.079 -5.326) 7.356 1.992 ( -0.332 -0.983 -3.007) 3.181 2.382 ( -2.435 -1.761 3.586) 4.679 2.562 ( -7.877 8.362 -0.331) 11.492 4.055 ( -3.242 -2.487 2.117) 4.602 5.527 ( -3.894 6.153 -0.603) 7.307 5.877 ( 1.414 -2.957 -1.525) 3.615 6.127 ( -2.084 0.633 -0.209) 2.188 6.202 ( 1.737 2.606 3.235) 4.503 6.594 ( 3.004 0.589 -1.502) 3.410 7.878 ( 2.857 -2.639 1.428) 4.144======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( -0.000 14.679 8.340) 16.883 1.285 ( -0.000 11.915 12.425) 17.214 1.526 ( 0.000 3.057 -10.063) 10.517 1.756 ( -0.000 6.783 9.361) 11.560 2.092 ( -0.000 22.896 4.065) 23.254 2.813 ( 0.000 -1.256 -8.775) 8.864 5.018 ( -0.000 5.562 0.958) 5.644 5.998 ( 0.000 -0.905 -1.467) 1.724 6.095 ( 0.000 -3.669 -0.503) 3.703 6.164 ( 0.000 15.720 -11.912) 19.724 7.664 ( -0.000 -14.304 5.993) 15.508 8.052 ( 0.000 -1.181 -6.714) 6.817======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( -1.308 13.071 2.754) 13.422 1.369 ( -3.185 6.869 7.976) 10.997 1.640 ( 7.141 8.873 -2.973) 11.771 1.866 ( 2.837 5.514 1.130) 6.303 2.388 ( 7.072 17.426 0.522) 18.813 2.842 ( 3.744 7.891 -2.873) 9.195 5.110 ( 3.008 6.970 0.866) 7.641 5.927 ( -3.094 -5.466 -1.086) 6.374 6.053 ( -0.539 -3.032 -0.416) 3.108 6.331 ( 5.535 9.700 -7.504) 13.455 7.495 ( -3.699 -16.068 5.544) 17.395 7.989 ( -3.827 -0.331 -6.935) 7.927======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 0.488 8.215 0.949) 8.284 1.423 ( -1.590 9.339 3.604) 10.136 1.841 ( 4.843 5.978 1.668) 7.873 1.999 ( 6.090 9.531 -2.170) 11.517 2.598 ( 5.116 5.116 -3.757) 8.152 3.117 ( 11.405 17.244 2.235) 20.795 5.260 ( 4.595 8.728 0.983) 9.913 5.806 ( -4.199 -4.258 -1.058) 6.073 6.018 ( -0.505 -1.458 -0.775) 1.727 6.460 ( 4.533 1.599 -4.536) 6.609 7.256 ( -7.317 -15.087 3.724) 17.176 7.887 ( -4.450 -1.097 -4.664) 6.539======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 0.974 6.254 5.253) 8.225 1.514 ( 1.079 10.211 -2.534) 10.576 1.928 ( 2.174 1.338 0.187) 2.560 2.243 ( 6.991 13.488 -0.095) 15.192 2.685 ( 2.728 1.506 -2.343) 3.899 3.499 ( 12.280 14.150 1.251) 18.777 5.433 ( 3.584 9.984 1.062) 10.661 5.711 ( -2.467 -1.948 -0.321) 3.159 6.008 ( 0.572 0.308 -1.063) 1.246 6.498 ( 2.000 -2.062 -4.061) 4.974 6.972 ( -10.535 -11.688 1.731) 15.830 7.803 ( -1.544 -2.998 -1.302) 3.615======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( -0.855 6.204 2.535) 6.756 1.652 ( 3.662 8.913 -1.199) 9.710 1.966 ( 1.665 -0.049 -0.594) 1.768 2.454 ( 3.188 8.112 0.822) 8.755 2.724 ( -0.662 5.509 -1.561) 5.764 3.803 ( 9.559 7.701 0.863) 12.305 5.573 ( 0.453 9.985 0.855) 10.032 5.691 ( 1.008 0.457 0.370) 1.167 6.037 ( 2.099 0.881 -0.900) 2.447 6.476 ( -0.518 -2.589 -4.056) 4.839 6.696 ( -10.123 -6.463 1.390) 12.091 7.767 ( 1.761 -4.680 0.637) 5.041======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -1.732 5.781 1.112) 6.136 1.792 ( 3.661 6.851 -2.298) 8.100 1.983 ( 1.082 -0.778 -0.920) 1.620 2.487 ( -1.772 -2.555 1.063) 3.286 2.790 ( -4.195 15.209 -0.961) 15.806 3.987 ( 5.977 1.672 1.382) 6.358 5.654 ( -2.475 9.548 0.541) 9.878 5.746 ( 3.854 0.984 0.076) 3.979 6.079 ( 2.345 -0.217 -0.582) 2.426 6.377 ( -6.830 -1.734 -0.552) 7.068 6.560 ( -1.712 -0.847 -0.481) 1.970 7.766 ( 3.426 -5.348 0.996) 6.429======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( -2.798 4.830 0.567) 5.610 1.896 ( 3.325 3.567 -4.220) 6.449 1.981 ( 0.062 -1.224 -1.041) 1.608 2.414 ( -2.588 -2.874 2.278) 4.489 2.831 ( -9.016 15.179 -0.644) 17.666 4.053 ( 1.502 -2.403 1.659) 3.284 5.683 ( -4.517 8.121 0.478) 9.305 5.811 ( 2.688 -1.022 -0.854) 3.000 6.113 ( 2.624 -0.331 -1.398) 2.992 6.274 ( -4.885 2.555 2.594) 6.093 6.555 ( 1.136 0.131 -1.421) 1.824 7.781 ( 3.998 -5.201 0.810) 6.610======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 0.000 0.814 -2.838) 2.953 1.422 ( -0.000 11.462 0.550) 11.476 1.705 ( -0.000 14.945 1.620) 15.033 1.888 ( -0.000 3.431 0.601) 3.483 2.483 ( 0.000 11.555 -2.132) 11.750 2.927 ( -0.000 17.099 2.031) 17.219 5.153 ( -0.000 7.187 0.332) 7.194 5.897 ( 0.000 -5.195 -1.828) 5.507 6.024 ( -0.000 -2.833 -0.062) 2.833 6.356 ( 0.000 6.662 -3.538) 7.543 7.370 ( -0.000 -17.475 4.370) 18.013 8.002 ( 0.000 -0.112 -6.834) 6.835======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( 0.682 2.816 -2.866) 4.076 1.522 ( 0.033 8.411 -2.749) 8.849 1.872 ( 0.974 8.048 2.970) 8.634 1.970 ( 6.402 8.604 -1.970) 10.904 2.578 ( 2.067 4.840 -1.255) 5.410 3.181 ( 4.781 21.677 3.092) 22.412 5.265 ( 4.227 7.666 0.185) 8.756 5.819 ( -2.496 -4.019 -2.315) 5.267 6.004 ( 0.102 -1.271 -0.161) 1.285 6.413 ( 1.863 1.720 -0.775) 2.651 7.185 ( -2.467 -17.021 2.889) 17.440 7.944 ( -3.977 -0.454 -5.568) 6.858======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 3.598 4.120 0.490) 5.491 1.591 ( 0.320 7.655 -3.991) 8.639 1.924 ( 0.552 1.809 0.911) 2.100 2.238 ( 9.109 13.281 0.033) 16.104 2.648 ( 2.751 1.851 -0.053) 3.316 3.496 ( 6.802 17.915 1.409) 19.214 5.444 ( 6.369 8.532 0.393) 10.654 5.735 ( -2.634 -1.889 -1.681) 3.652 6.001 ( 0.224 0.473 -0.763) 0.925 6.441 ( 1.431 -1.465 -0.277) 2.066 6.972 ( -4.377 -14.499 1.470) 15.216 7.836 ( -5.261 -1.509 -3.307) 6.395======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 2.470 4.289 2.284) 5.451 1.679 ( 2.460 7.956 -2.784) 8.781 1.946 ( 0.617 0.473 0.220) 0.808 2.467 ( 3.508 5.811 0.861) 6.842 2.753 ( 5.654 8.095 -0.332) 9.880 3.755 ( 5.917 10.468 0.319) 12.029 5.629 ( 4.113 7.938 0.638) 8.963 5.697 ( -0.272 1.206 -0.452) 1.317 6.015 ( 0.762 0.930 -1.254) 1.737 6.442 ( 0.943 -1.489 -0.939) 1.998 6.763 ( -5.797 -9.765 0.707) 11.378 7.731 ( -2.987 -3.222 -1.056) 4.518======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( -0.114 5.202 1.124) 5.323 1.799 ( 2.933 6.016 -0.792) 6.739 1.958 ( 0.703 -0.380 -0.255) 0.838 2.487 ( -1.193 -2.544 0.546) 2.863 2.975 ( 3.039 17.024 -0.401) 17.298 3.907 ( 4.512 1.942 0.416) 4.930 5.708 ( 1.953 2.146 0.437) 2.934 5.768 ( 0.329 7.009 0.717) 7.054 6.032 ( 1.508 -0.874 -1.345) 2.202 6.440 ( -1.008 1.077 -0.935) 1.747 6.602 ( -4.431 -3.486 0.300) 5.646 7.670 ( 0.779 -4.937 0.172) 5.001======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( -2.185 5.497 1.045) 6.007 1.880 ( 1.720 2.774 -1.615) 3.641 1.961 ( 0.485 -0.883 -0.458) 1.107 2.426 ( -1.883 -3.134 0.874) 3.759 3.138 ( -5.647 18.611 -0.484) 19.455 3.967 ( 4.263 -4.557 0.894) 6.303 5.760 ( 1.318 0.282 0.171) 1.359 5.822 ( -1.323 6.224 1.078) 6.454 6.044 ( 2.707 -2.533 -1.713) 4.084 6.412 ( -4.951 4.886 1.164) 7.053 6.550 ( -0.634 0.072 -1.139) 1.306 7.656 ( 3.510 -5.656 0.328) 6.665======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( 0.000 1.214 -4.020) 4.199 1.580 ( 0.000 6.423 -7.749) 10.065 1.925 ( 0.000 1.516 -0.799) 1.714 2.011 ( -0.000 13.754 1.884) 13.882 2.605 ( -0.000 2.840 2.130) 3.550 3.377 ( -0.000 22.396 2.560) 22.541 5.290 ( 0.000 6.068 -0.449) 6.084 5.796 ( 0.000 -2.966 -3.595) 4.660 5.998 ( -0.000 0.358 0.486) 0.604 6.414 ( -0.000 0.337 2.343) 2.367 7.038 ( -0.000 -16.965 1.270) 17.012 7.961 ( 0.000 -0.341 -5.050) 5.062======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 3.688 2.153 -1.947) 4.693 1.619 ( 1.390 4.896 -8.072) 9.543 1.940 ( -0.050 1.674 0.641) 1.793 2.214 ( 7.337 12.252 0.674) 14.297 2.634 ( 0.729 0.137 3.225) 3.310 3.614 ( 2.128 18.917 1.078) 19.067 5.398 ( 5.967 5.384 -0.493) 8.052 5.749 ( -1.520 -1.058 -3.361) 3.837 6.011 ( -0.092 2.034 0.229) 2.049 6.420 ( 0.109 -1.295 3.366) 3.608 6.867 ( -1.098 -15.031 -0.086) 15.071 7.905 ( -4.243 -0.536 -3.744) 5.684======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( 5.693 2.586 0.318) 6.261 1.690 ( 3.141 5.440 -4.681) 7.834 1.954 ( -0.302 1.053 0.734) 1.318 2.456 ( 5.387 6.746 0.606) 8.654 2.691 ( 6.877 2.626 1.900) 7.602 3.812 ( 1.663 12.793 -0.074) 12.901 5.585 ( 8.565 5.386 -0.395) 10.125 5.715 ( -1.116 1.007 -2.054) 2.546 6.029 ( -0.654 2.365 -0.217) 2.463 6.415 ( 0.435 -1.786 2.602) 3.186 6.711 ( -1.328 -11.271 -0.486) 11.359 7.794 ( -6.271 -0.893 -2.166) 6.695======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 4.299 2.707 -0.086) 5.081 1.799 ( 3.370 5.106 -0.740) 6.162 1.955 ( -0.403 0.308 0.325) 0.603 2.487 ( -1.415 -2.242 0.582) 2.714 2.972 ( 13.588 11.096 0.366) 17.547 3.910 ( -0.862 5.127 -0.381) 5.213 5.712 ( 0.511 2.762 -0.458) 2.846 5.774 ( 5.619 4.041 -0.541) 6.942 6.026 ( -1.472 0.587 -0.064) 1.586 6.433 ( 2.376 0.021 0.768) 2.497 6.603 ( -1.030 -5.858 0.042) 5.948 7.674 ( -5.185 -1.711 -0.784) 5.516======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 2.247 3.892 -0.000) 4.494 1.873 ( 0.931 1.612 -0.000) 1.862 1.951 ( -0.091 -0.157 -0.000) 0.182 2.427 ( -1.750 -3.031 -0.000) 3.499 3.308 ( 8.644 14.972 -0.000) 17.289 3.884 ( -2.280 -3.949 -0.000) 4.560 5.750 ( 0.925 1.602 -0.000) 1.850 5.874 ( 2.140 3.706 -0.000) 4.280 5.992 ( -1.246 -2.158 -0.000) 2.492 6.490 ( 1.530 2.650 -0.000) 3.060 6.560 ( -0.362 -0.627 -0.000) 0.724 7.588 ( -1.631 -2.825 -0.000) 3.262======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.000 1.768 -2.008) 2.676 1.617 ( 0.000 3.667 -8.258) 9.036 1.962 ( -0.000 1.764 1.201) 2.134 2.263 ( -0.000 10.388 0.819) 10.420 2.631 ( -0.000 -2.279 4.183) 4.763 3.779 ( 0.000 16.293 0.040) 16.293 5.380 ( 0.000 3.246 -0.481) 3.282 5.749 ( 0.000 0.645 -3.543) 3.601 6.042 ( -0.000 3.361 0.354) 3.380 6.418 ( -0.000 -2.136 4.825) 5.276 6.730 ( 0.000 -12.907 -1.669) 13.014 7.930 ( 0.000 -0.333 -3.168) 3.185======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 4.758 1.816 -0.634) 5.132 1.665 ( 3.062 4.587 -4.037) 6.834 1.977 ( -0.494 1.204 1.223) 1.786 2.421 ( 6.377 7.703 0.168) 10.002 2.617 ( 1.735 -3.532 3.144) 5.037 3.923 ( 0.197 11.645 -0.871) 11.679 5.474 ( 7.344 2.710 -0.290) 7.833 5.745 ( -1.090 2.427 -2.253) 3.486 6.072 ( -0.706 3.266 -0.043) 3.342 6.398 ( -0.161 -4.009 3.656) 5.428 6.615 ( -0.118 -8.246 -1.584) 8.398 7.880 ( -4.258 -0.159 -2.240) 4.814======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 6.126 1.230 -0.799) 6.299 1.779 ( 4.242 5.109 0.386) 6.652 1.975 ( -0.981 0.494 0.892) 1.415 2.491 ( -1.304 -2.362 0.154) 2.702 2.781 ( 15.564 4.287 0.945) 16.171 3.999 ( -1.808 6.288 -1.182) 6.649 5.659 ( 9.898 2.560 -0.599) 10.241 5.749 ( -1.092 3.174 -0.672) 3.423 6.075 ( -1.991 1.898 0.232) 2.760 6.370 ( 2.072 -4.723 0.920) 5.239 6.558 ( 0.115 -3.011 0.078) 3.015 7.777 ( -6.724 0.106 -1.241) 6.838======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -0.000 1.787 0.128) 1.791 1.681 ( 0.000 5.983 -0.061) 5.984 1.995 ( -0.000 0.651 1.332) 1.483 2.426 ( 0.000 5.493 0.122) 5.494 2.566 ( -0.000 -5.726 1.803) 6.003 4.018 ( 0.000 8.139 -1.620) 8.299 5.425 ( -0.000 1.591 0.367) 1.633 5.784 ( 0.000 4.039 -0.872) 4.132 6.109 ( 0.000 2.675 -0.527) 2.727 6.348 ( -0.000 -7.120 0.242) 7.124 6.561 ( -0.000 -2.612 0.295) 2.628 7.911 ( 0.000 -0.008 -1.910) 1.910======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 4.086 1.176 0.196) 4.257 1.781 ( 2.624 6.998 3.840) 8.403 1.996 ( -0.660 -0.043 1.224) 1.391 2.480 ( -0.607 -2.985 -0.945) 3.189 2.577 ( 9.780 0.003 0.635) 9.800 4.069 ( -0.708 3.874 -1.909) 4.376 5.513 ( 7.806 1.264 0.402) 7.918 5.813 ( -1.628 4.290 0.843) 4.665 6.118 ( -0.900 1.369 -0.653) 1.763 6.283 ( 1.231 -6.185 -2.230) 6.689 6.551 ( -0.419 0.220 1.570) 1.640 7.872 ( -3.984 0.360 -1.427) 4.247======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -0.000 1.199 1.246) 1.729 1.858 ( -0.000 8.759 7.371) 11.448 2.002 ( -0.000 -0.790 1.441) 1.644 2.442 ( 0.000 -5.743 -2.508) 6.266 2.478 ( 0.000 -0.321 -0.189) 0.372 4.088 ( 0.000 -0.026 -2.258) 2.258 5.453 ( -0.000 0.692 1.052) 1.259 5.880 ( -0.000 3.855 2.826) 4.780 6.126 ( 0.000 -0.602 -1.191) 1.335 6.208 ( 0.000 -3.245 -4.687) 5.701 6.573 ( -0.000 1.851 2.094) 2.794 7.907 ( 0.000 0.631 -1.519) 1.645======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( -0.000 0.000 19.281) 19.281 0.779 ( -0.000 0.000 19.281) 19.281 1.448 ( -0.000 0.000 37.914) 37.914 1.575 ( 0.000 -0.000 -7.791) 7.791 1.575 ( 0.000 -0.000 -7.791) 7.791 3.181 ( 0.000 -0.000 -20.195) 20.195 4.906 ( -0.000 0.000 1.281) 1.281 4.906 ( -0.000 0.000 1.281) 1.281 6.186 ( 0.000 -0.000 -0.692) 0.692 6.186 ( 0.000 -0.000 -0.692) 0.692 7.875 ( -0.000 0.000 2.284) 2.284 8.230 ( 0.000 -0.000 -0.859) 0.859======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.794 ( 2.185 1.262 17.641) 17.821 1.020 ( 6.689 3.862 20.266) 21.688 1.578 ( 4.232 2.443 -9.156) 10.379 1.617 ( 3.558 2.054 -6.883) 8.016 1.699 ( 13.049 7.534 27.567) 31.416 2.927 ( -8.910 -5.144 -13.310) 16.822 4.939 ( 2.398 1.384 1.126) 2.989 5.507 ( 36.043 20.809 -14.623) 44.113 6.134 ( -4.100 -2.367 -0.832) 4.807 6.161 ( -1.916 -1.106 -0.684) 2.316 7.858 ( -2.632 -1.520 3.162) 4.386 8.126 ( -7.458 -4.306 -1.831) 8.804======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.955 ( 6.977 4.028 12.494) 14.866 1.155 ( 0.911 0.526 18.184) 18.214 1.698 ( 7.312 4.222 -5.596) 10.129 1.703 ( 5.708 3.295 -5.471) 8.566 2.161 ( 19.834 11.451 11.092) 25.447 2.805 ( 1.605 0.927 -9.750) 9.924 5.022 ( 4.466 2.578 0.890) 5.233 5.995 ( -5.530 -3.193 -0.937) 6.454 6.101 ( -2.879 -1.662 -0.664) 3.391 6.154 ( 20.936 12.087 -12.350) 27.146 7.731 ( -10.645 -6.146 6.751) 14.023 7.952 ( -4.947 -2.856 -6.096) 8.355======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 6.954 4.015 6.992) 10.648 1.230 ( 2.640 1.524 10.778) 11.201 1.841 ( 5.453 3.148 -1.734) 6.531 1.853 ( 8.419 4.861 -3.360) 10.285 2.555 ( 10.997 6.349 -2.008) 12.856 2.981 ( 15.383 8.881 -0.806) 17.781 5.144 ( 5.753 3.322 0.683) 6.678 5.844 ( -6.294 -3.634 -0.194) 7.270 6.038 ( -2.181 -1.259 -0.594) 2.587 6.466 ( 8.854 5.112 -8.095) 13.040 7.426 ( -16.108 -9.300 3.419) 18.911 7.872 ( -1.350 -0.779 -2.376) 2.841======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.304 ( 4.893 2.825 2.761) 6.288 1.355 ( 5.889 3.400 5.878) 8.988 1.934 ( 3.123 1.803 -1.127) 3.778 2.062 ( 9.809 5.663 -1.396) 11.412 2.695 ( 3.033 1.751 -3.450) 4.916 3.397 ( 18.057 10.425 1.221) 20.886 5.277 ( 5.257 3.035 0.385) 6.083 5.729 ( -3.328 -1.921 0.585) 3.887 6.010 ( 0.148 0.085 -0.311) 0.355 6.553 ( 1.476 0.852 -6.745) 6.957 7.044 ( -16.890 -9.751 1.314) 19.547 7.861 ( 0.253 0.146 1.232) 1.266======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 3.183 1.838 0.381) 3.695 1.522 ( 7.329 4.231 1.729) 8.637 1.985 ( 1.722 0.994 -1.274) 2.362 2.274 ( 8.347 4.819 -0.376) 9.645 2.689 ( -2.734 -1.579 -2.013) 3.744 3.766 ( 13.116 7.572 1.361) 15.206 5.377 ( 3.267 1.886 -0.169) 3.776 5.706 ( 1.224 0.707 0.957) 1.707 6.043 ( 2.406 1.389 0.286) 2.793 6.522 ( -2.792 -1.612 -6.501) 7.256 6.694 ( -12.325 -7.116 2.435) 14.438 7.878 ( 0.527 0.304 2.253) 2.333======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 1.995 1.152 -0.766) 2.428 1.695 ( 7.715 4.454 -3.022) 9.407 2.008 ( 0.550 0.318 -1.389) 1.527 2.427 ( 4.618 2.666 0.033) 5.332 2.576 ( -6.065 -3.502 -0.358) 7.013 4.002 ( 6.780 3.914 1.987) 8.077 5.430 ( 1.623 0.937 -0.739) 2.015 5.780 ( 4.577 2.642 -0.130) 5.286 6.102 ( 2.075 1.198 0.886) 2.554 6.346 ( -8.895 -5.135 0.549) 10.285 6.568 ( -0.955 -0.551 -1.284) 1.692 7.894 ( 0.293 0.169 1.909) 1.938======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -0.000 8.544 17.073) 19.092 1.076 ( -0.000 11.677 15.126) 19.109 1.486 ( 0.000 -1.116 -10.001) 10.063 1.641 ( 0.000 7.295 -3.404) 8.050 1.766 ( -0.000 10.832 26.019) 28.184 2.885 ( 0.000 -9.545 -15.144) 17.902 4.939 ( -0.000 2.698 1.122) 2.922 5.461 ( 0.000 38.822 -11.538) 40.501 6.138 ( 0.000 -3.983 -1.084) 4.128 6.157 ( 0.000 -2.396 -0.562) 2.461 7.863 ( -0.000 -3.535 3.072) 4.683 8.129 ( 0.000 -7.622 -2.089) 7.904======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -1.401 11.233 12.272) 16.696 1.255 ( -0.581 7.198 16.637) 18.137 1.522 ( 8.314 1.540 -9.488) 12.709 1.725 ( 1.619 8.675 -4.875) 10.082 2.059 ( 10.874 14.403 16.085) 24.174 2.763 ( -0.233 -1.242 -12.042) 12.108 5.000 ( 2.533 4.231 0.916) 5.015 5.932 ( 14.192 21.297 -8.913) 27.101 6.058 ( -2.519 -2.327 -2.659) 4.339 6.117 ( -1.223 -2.498 -0.895) 2.921 7.789 ( -3.652 -9.602 5.955) 11.874 7.998 ( -5.055 -4.018 -5.714) 8.623======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 1.660 9.798 6.725) 11.999 1.307 ( -2.761 5.054 11.174) 12.570 1.713 ( 9.853 5.178 -2.166) 11.339 1.835 ( 3.108 7.522 -3.856) 9.007 2.433 ( 11.402 10.094 1.606) 15.312 2.847 ( 9.659 9.199 -3.699) 13.842 5.112 ( 4.072 6.059 0.785) 7.342 5.903 ( -5.336 -5.178 -0.291) 7.441 6.055 ( -1.879 -2.276 -0.575) 3.007 6.332 ( 10.943 9.693 -7.358) 16.365 7.560 ( -10.483 -13.476 4.410) 17.633 7.889 ( -2.956 -0.680 -4.200) 5.181======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 2.380 8.337 2.531) 9.032 1.367 ( 0.304 5.675 8.416) 10.155 1.887 ( 4.346 2.794 0.041) 5.167 1.992 ( 7.246 10.279 -2.543) 12.831 2.631 ( 5.581 3.382 -3.639) 7.472 3.216 ( 16.521 13.811 0.676) 21.544 5.256 ( 4.033 7.463 0.732) 8.514 5.770 ( -4.257 -3.653 0.538) 5.635 6.012 ( -0.768 -0.817 -0.627) 1.285 6.492 ( 4.156 1.500 -5.829) 7.314 7.218 ( -14.450 -12.055 1.272) 18.861 7.849 ( 0.002 -1.586 0.217) 1.600======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 0.108 6.529 1.621) 6.728 1.491 ( 4.139 6.613 4.691) 9.104 1.955 ( 2.272 0.930 -0.942) 2.629 2.227 ( 6.698 11.350 -0.590) 13.192 2.692 ( 0.541 0.054 -2.847) 2.899 3.618 ( 14.421 10.601 0.697) 17.912 5.388 ( 1.802 7.827 0.504) 8.047 5.703 ( -0.717 -1.214 1.395) 1.984 6.017 ( 1.652 0.752 -0.353) 1.849 6.506 ( 0.216 -1.490 -5.784) 5.976 6.858 ( -14.308 -9.079 1.120) 16.982 7.849 ( 1.791 -2.747 2.157) 3.925======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -0.448 5.106 0.612) 5.162 1.644 ( 4.469 6.706 0.716) 8.090 1.988 ( 1.380 0.059 -1.240) 1.856 2.422 ( 3.397 9.048 0.117) 9.666 2.641 ( -4.394 -0.746 -2.072) 4.915 3.912 ( 9.534 5.844 1.362) 11.265 5.473 ( -0.998 7.628 0.027) 7.693 5.729 ( 3.202 0.799 1.186) 3.507 6.071 ( 2.879 1.006 0.225) 3.058 6.432 ( -5.301 -3.472 -3.776) 7.376 6.602 ( -6.231 -3.532 1.307) 7.281 7.861 ( 2.242 -3.331 2.060) 4.513======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -0.000 10.447 10.094) 14.527 1.385 ( -0.000 5.356 7.104) 8.897 1.436 ( 0.000 8.370 -7.338) 11.131 1.781 ( 0.000 7.609 -3.307) 8.296 2.171 ( -0.000 16.682 12.429) 20.803 2.728 ( 0.000 2.649 -9.678) 10.034 5.026 ( -0.000 5.408 0.712) 5.454 5.987 ( 0.000 4.184 -0.679) 4.239 6.075 ( 0.000 13.149 -7.878) 15.328 6.091 ( 0.000 -3.582 -0.269) 3.592 7.718 ( -0.000 -14.290 5.961) 15.484 7.991 ( 0.000 -2.095 -6.743) 7.061======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( -2.026 8.561 2.069) 9.038 1.408 ( 0.195 2.934 0.646) 3.010 1.641 ( 6.962 12.389 3.353) 14.601 1.852 ( 1.634 5.896 -4.051) 7.338 2.403 ( 5.288 12.001 2.674) 13.385 2.819 ( 4.877 13.195 -1.990) 14.208 5.117 ( 3.134 6.836 0.510) 7.538 5.918 ( -3.009 -5.975 -0.997) 6.764 6.050 ( -0.696 -3.016 -0.227) 3.104 6.279 ( 5.554 12.208 -3.979) 13.990 7.542 ( -3.925 -16.917 4.802) 18.018 7.929 ( -3.242 -0.170 -6.120) 6.927======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 1.721 7.585 -0.295) 7.783 1.455 ( -0.301 5.212 2.725) 5.889 1.863 ( 3.395 5.732 3.164) 7.375 1.973 ( 7.060 11.180 -3.476) 13.672 2.573 ( 4.527 5.367 -1.862) 7.264 3.132 ( 11.141 17.987 1.122) 21.188 5.267 ( 4.766 8.687 0.537) 9.923 5.799 ( -3.700 -4.635 -0.526) 5.954 6.012 ( -0.684 -1.540 -0.502) 1.758 6.428 ( 3.740 3.042 -2.436) 5.401 7.283 ( -8.057 -15.567 2.171) 17.663 7.853 ( -2.868 -1.121 -2.728) 4.114======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 1.752 8.944 -1.058) 9.175 1.516 ( 1.568 4.876 4.663) 6.926 1.930 ( 1.527 1.323 0.107) 2.023 2.240 ( 7.282 14.289 -0.304) 16.041 2.666 ( 2.501 2.360 -1.861) 3.910 3.506 ( 12.081 14.092 0.351) 18.565 5.441 ( 3.645 10.025 0.674) 10.689 5.713 ( -1.901 -2.281 0.605) 3.030 6.000 ( 0.593 0.107 -0.651) 0.887 6.466 ( 0.983 -1.020 -2.933) 3.257 6.982 ( -10.826 -11.692 0.527) 15.943 7.799 ( -0.215 -3.492 0.466) 3.530======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -1.143 6.268 0.733) 6.413 1.657 ( 3.507 7.392 2.371) 8.519 1.960 ( 1.338 0.119 -0.688) 1.509 2.458 ( 3.226 8.343 0.134) 8.946 2.708 ( -0.786 6.203 -1.912) 6.538 3.809 ( 9.871 7.664 0.512) 12.508 5.580 ( 0.296 10.122 0.687) 10.150 5.699 ( 1.172 0.087 1.375) 1.809 6.030 ( 2.385 0.578 -0.467) 2.498 6.442 ( -1.026 -1.458 -3.429) 3.865 6.706 ( -9.728 -6.646 0.845) 11.811 7.777 ( 2.229 -5.242 1.554) 5.905======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 0.000 1.221 -7.046) 7.151 1.421 ( 0.000 7.345 -1.142) 7.433 1.735 ( -0.000 14.269 4.373) 14.924 1.873 ( 0.000 3.717 -3.392) 5.033 2.482 ( -0.000 9.687 1.646) 9.826 2.944 ( -0.000 19.958 1.804) 20.040 5.155 ( 0.000 6.924 0.026) 6.925 5.879 ( 0.000 -5.944 -2.175) 6.329 6.025 ( -0.000 -2.665 0.204) 2.673 6.340 ( 0.000 8.806 0.092) 8.806 7.407 ( -0.000 -18.571 3.748) 18.945 7.942 ( 0.000 0.337 -6.265) 6.274======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 2.130 3.497 -4.225) 5.883 1.490 ( 1.397 5.299 -4.555) 7.126 1.893 ( 0.607 4.338 1.272) 4.561 1.956 ( 6.593 12.405 -0.458) 14.055 2.580 ( 1.371 5.942 1.450) 6.268 3.204 ( 4.392 21.609 1.965) 22.138 5.265 ( 4.431 7.426 -0.186) 8.650 5.798 ( -1.969 -4.625 -2.284) 5.521 6.004 ( -0.201 -1.162 0.171) 1.192 6.418 ( 1.112 3.128 1.939) 3.845 7.208 ( -2.581 -18.064 2.082) 18.366 7.897 ( -3.320 0.035 -4.698) 5.753======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 5.443 4.783 0.254) 7.250 1.555 ( 1.553 5.645 -4.102) 7.149 1.929 ( 0.481 1.643 0.314) 1.741 2.238 ( 9.112 13.675 0.161) 16.433 2.653 ( 1.807 2.912 1.080) 3.593 3.505 ( 6.407 17.579 0.571) 18.719 5.445 ( 6.686 8.325 -0.164) 10.679 5.721 ( -1.816 -2.347 -1.308) 3.243 5.998 ( -0.109 0.489 -0.041) 0.502 6.446 ( 0.107 -0.397 1.448) 1.506 6.982 ( -4.506 -15.073 0.600) 15.743 7.811 ( -4.154 -1.464 -2.122) 4.889======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 2.151 3.726 0.000) 4.302 1.665 ( 4.380 7.587 -0.000) 8.761 1.947 ( 0.334 0.579 -0.000) 0.668 2.471 ( 3.479 6.025 -0.000) 6.957 2.752 ( 4.970 8.609 -0.000) 9.941 3.756 ( 5.950 10.306 -0.000) 11.900 5.632 ( 4.437 7.685 -0.000) 8.874 5.695 ( 0.509 0.882 -0.000) 1.019 6.009 ( 0.528 0.915 -0.000) 1.056 6.437 ( -0.323 -0.560 -0.000) 0.647 6.766 ( -5.719 -9.906 -0.000) 11.438 7.726 ( -2.075 -3.594 -0.000) 4.150======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 0.000 2.371 -4.413) 5.009 1.503 ( 0.000 4.843 -9.178) 10.377 1.921 ( 0.000 2.616 0.003) 2.616 2.029 ( -0.000 13.000 2.082) 13.166 2.630 ( -0.000 3.850 3.400) 5.136 3.395 ( -0.000 21.664 1.426) 21.711 5.286 ( 0.000 5.918 -0.529) 5.941 5.765 ( 0.000 -3.396 -3.204) 4.669 6.002 ( -0.000 0.424 0.526) 0.676 6.446 ( -0.000 1.241 4.595) 4.759 7.048 ( -0.000 -18.228 0.735) 18.243 7.918 ( 0.000 0.379 -4.580) 4.596======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( 4.809 2.938 -1.585) 5.854 1.548 ( 2.650 5.129 -7.479) 9.448 1.947 ( -0.105 2.100 0.851) 2.268 2.221 ( 6.890 11.956 0.754) 13.820 2.664 ( 0.167 0.644 3.290) 3.357 3.620 ( 1.999 18.229 0.209) 18.340 5.393 ( 6.010 5.354 -0.552) 8.068 5.722 ( -1.039 -1.184 -2.657) 3.089 6.014 ( -0.261 1.982 0.362) 2.032 6.458 ( -0.635 -0.780 4.870) 4.972 6.865 ( -0.878 -16.107 -0.516) 16.139 7.874 ( -3.823 0.031 -3.252) 5.019======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 0.000 2.725 -1.327) 3.031 1.555 ( 0.000 5.863 -5.433) 7.993 1.973 ( -0.000 1.925 1.350) 2.352 2.269 ( -0.000 10.000 0.656) 10.022 2.665 ( -0.000 -2.529 3.259) 4.125 3.776 ( 0.000 15.606 -0.720) 15.622 5.377 ( 0.000 3.466 -0.172) 3.470 5.722 ( 0.000 1.055 -2.412) 2.632 6.044 ( 0.000 3.108 0.036) 3.108 6.466 ( -0.000 -2.576 5.864) 6.405 6.714 ( 0.000 -13.649 -1.990) 13.793 7.902 ( 0.000 0.300 -2.968) 2.983======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( -0.000 0.000 17.124) 17.124 0.943 ( -0.000 0.000 17.124) 17.124 1.498 ( 0.000 -0.000 -9.313) 9.313 1.498 ( 0.000 -0.000 -9.313) 9.313 1.778 ( -0.000 0.000 35.275) 35.275 2.984 ( 0.000 -0.000 -23.507) 23.507 4.916 ( -0.000 0.000 1.034) 1.034 4.916 ( -0.000 0.000 1.034) 1.034 6.180 ( 0.000 -0.000 -0.561) 0.561 6.180 ( 0.000 -0.000 -0.561) 0.561 7.894 ( -0.000 0.000 1.907) 1.907 8.223 ( 0.000 -0.000 -0.774) 0.774======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( 1.140 0.658 16.911) 16.963 1.191 ( 8.527 4.923 17.591) 20.160 1.479 ( 3.951 2.281 -12.107) 12.937 1.547 ( 4.195 2.422 -8.571) 9.845 1.950 ( 7.107 4.103 27.269) 28.478 2.785 ( -6.332 -3.656 -17.747) 19.194 4.947 ( 2.346 1.354 0.780) 2.819 5.408 ( 32.550 18.793 -7.795) 38.386 6.128 ( -4.194 -2.421 -0.551) 4.874 6.156 ( -1.929 -1.114 -0.541) 2.292 7.884 ( -1.563 -0.902 2.395) 2.999 8.111 ( -8.656 -4.998 -1.481) 10.104======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 4.839 2.794 13.528) 14.636 1.302 ( -1.262 -0.729 13.105) 13.186 1.646 ( 10.380 5.993 -4.675) 12.865 1.647 ( 6.683 3.859 -7.040) 10.446 2.261 ( 13.455 7.768 10.434) 18.715 2.712 ( 4.798 2.770 -10.468) 11.844 5.028 ( 4.438 2.562 0.574) 5.157 5.990 ( -3.696 -2.134 -0.066) 4.269 6.063 ( 20.232 11.681 -8.004) 24.695 6.096 ( -2.894 -1.671 -0.545) 3.386 7.789 ( -11.617 -6.707 5.649) 14.555 7.901 ( -4.000 -2.309 -4.954) 6.773======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 4.761 2.749 8.358) 10.005 1.325 ( 1.242 0.717 9.696) 9.801 1.819 ( 9.549 5.513 -4.304) 11.836 1.830 ( 5.829 3.365 -0.256) 6.736 2.533 ( 8.599 4.965 -2.870) 10.336 2.971 ( 17.598 10.160 -1.237) 20.358 5.150 ( 5.734 3.311 0.539) 6.643 5.848 ( -6.082 -3.512 0.930) 7.084 6.032 ( -2.156 -1.245 -0.570) 2.554 6.401 ( 9.272 5.353 -6.243) 12.393 7.443 ( -16.888 -9.750 0.460) 19.506 7.867 ( -0.128 -0.074 1.243) 1.252======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 3.415 1.972 3.942) 5.576 1.421 ( 4.344 2.508 8.568) 9.928 1.925 ( 2.931 1.692 -0.807) 3.479 2.047 ( 10.514 6.070 -1.877) 12.284 2.663 ( 3.434 1.983 -3.691) 5.418 3.402 ( 18.303 10.568 -0.122) 21.135 5.281 ( 5.127 2.960 0.506) 5.941 5.741 ( -3.188 -1.840 2.058) 4.217 6.007 ( 0.309 0.178 -0.463) 0.584 6.494 ( 1.464 0.845 -6.104) 6.334 7.051 ( -16.585 -9.575 0.153) 19.151 7.882 ( 0.550 0.317 3.263) 3.324======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( -0.000 7.021 16.825) 18.231 1.196 ( -0.000 10.261 10.592) 14.747 1.396 ( 0.000 -1.409 -8.959) 9.069 1.569 ( 0.000 9.450 -10.075) 13.813 2.018 ( -0.000 4.744 27.090) 27.502 2.731 ( 0.000 -6.327 -18.426) 19.483 4.947 ( -0.000 2.658 0.784) 2.771 5.385 ( 0.000 35.842 -5.682) 36.290 6.130 ( 0.000 -4.421 -0.755) 4.485 6.153 ( 0.000 -2.353 -0.331) 2.376 7.887 ( -0.000 -2.171 2.206) 3.095 8.112 ( 0.000 -9.371 -1.612) 9.508======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( -1.999 7.652 12.009) 14.379 1.371 ( -1.207 1.414 3.898) 4.319 1.454 ( 11.541 6.526 -0.240) 13.260 1.660 ( 2.277 10.860 -8.794) 14.159 2.206 ( 6.462 8.306 15.050) 18.364 2.651 ( 1.470 2.118 -12.036) 12.309 5.006 ( 2.491 4.225 0.509) 4.931 5.868 ( 15.429 25.270 -4.873) 30.006 6.042 ( -3.525 -5.172 -1.013) 6.341 6.112 ( -1.467 -2.788 -0.379) 3.173 7.842 ( -2.689 -8.254 5.820) 10.451 7.947 ( -5.906 -5.923 -5.689) 10.116======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 1.438 5.622 6.996) 9.089 1.380 ( -0.971 3.296 4.726) 5.843 1.706 ( 9.349 8.024 0.150) 12.322 1.798 ( 4.083 7.305 -3.175) 8.950 2.440 ( 7.604 6.861 -0.165) 10.243 2.819 ( 11.923 12.415 -2.243) 17.359 5.118 ( 4.097 6.111 0.401) 7.369 5.903 ( -4.985 -5.380 0.439) 7.348 6.051 ( -1.990 -2.280 -0.385) 3.051 6.281 ( 10.718 10.875 -4.055) 15.798 7.586 ( -12.034 -13.653 1.018) 18.228 7.868 ( -0.775 -0.844 -0.401) 1.214======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( 2.111 5.724 3.954) 7.270 1.438 ( 1.181 4.433 6.977) 8.350 1.892 ( 2.920 2.559 0.870) 3.979 1.968 ( 8.500 11.594 -2.591) 14.608 2.601 ( 5.243 3.734 -2.967) 7.088 3.216 ( 16.582 14.223 -0.686) 21.857 5.262 ( 4.040 7.539 0.509) 8.568 5.780 ( -3.742 -3.821 1.630) 5.591 6.007 ( -0.765 -0.843 -0.477) 1.235 6.447 ( 3.410 2.172 -4.218) 5.843 7.220 ( -14.722 -11.800 -0.645) 18.878 7.863 ( 1.173 -2.094 2.818) 3.702======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( -0.000 5.667 9.296) 10.887 1.313 ( 0.000 2.013 -12.606) 12.765 1.494 ( -0.000 10.944 9.840) 14.717 1.720 ( 0.000 10.214 -8.993) 13.609 2.284 ( -0.000 9.524 10.715) 14.336 2.650 ( 0.000 7.981 -6.695) 10.417 5.031 ( -0.000 5.265 0.320) 5.275 5.988 ( -0.000 11.754 1.016) 11.797 6.021 ( 0.000 6.944 -4.197) 8.114 6.090 ( -0.000 -3.485 0.023) 3.485 7.770 ( -0.000 -14.736 5.601) 15.765 7.932 ( 0.000 -2.450 -6.353) 6.809======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( -0.056 3.979 -3.353) 5.204 1.401 ( 2.506 3.101 -1.124) 4.142 1.685 ( 5.556 12.218 5.083) 14.352 1.806 ( 2.013 7.004 -4.704) 8.674 2.428 ( 3.075 8.737 2.373) 9.561 2.809 ( 5.419 16.775 -0.100) 17.629 5.119 ( 3.216 6.704 0.060) 7.436 5.910 ( -2.639 -6.583 -0.865) 7.145 6.049 ( -0.865 -2.960 0.072) 3.085 6.262 ( 5.011 13.989 0.113) 14.860 7.577 ( -4.671 -17.597 2.731) 18.410 7.883 ( -2.032 -0.178 -3.747) 4.266======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 3.472 6.013 -0.000) 6.944 1.467 ( 1.947 3.373 0.000) 3.894 1.884 ( 1.810 3.136 -0.000) 3.621 1.951 ( 8.277 14.336 -0.000) 16.554 2.564 ( 3.431 5.943 -0.000) 6.862 3.137 ( 10.665 18.472 -0.000) 21.329 5.270 ( 4.961 8.593 -0.000) 9.923 5.797 ( -2.947 -5.104 -0.000) 5.893 6.009 ( -0.868 -1.504 -0.000) 1.737 6.417 ( 2.404 4.164 -0.000) 4.808 7.293 ( -8.918 -15.446 -0.000) 17.836 7.841 ( -1.045 -1.809 -0.000) 2.089======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 0.000 3.150 -8.532) 9.095 1.394 ( 0.000 3.167 -5.327) 6.197 1.777 ( -0.000 12.593 4.845) 13.492 1.841 ( 0.000 5.641 -2.788) 6.293 2.505 ( -0.000 8.920 3.194) 9.475 2.959 ( -0.000 21.097 1.535) 21.153 5.154 ( 0.000 6.722 -0.285) 6.728 5.860 ( 0.000 -6.586 -1.852) 6.841 6.028 ( -0.000 -2.542 0.431) 2.578 6.357 ( -0.000 10.212 3.499) 10.795 7.435 ( -0.000 -19.406 2.191) 19.530 7.893 ( 0.000 0.440 -4.411) 4.433======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( -0.000 0.000 13.199) 13.199 1.082 ( -0.000 0.000 13.199) 13.199 1.412 ( 0.000 -0.000 -9.247) 9.247 1.412 ( 0.000 -0.000 -9.247) 9.247 2.073 ( -0.000 0.000 29.249) 29.249 2.768 ( 0.000 -0.000 -23.380) 23.380 4.924 ( -0.000 0.000 0.576) 0.576 4.924 ( -0.000 0.000 0.576) 0.576 6.176 ( 0.000 -0.000 -0.314) 0.314 6.176 ( 0.000 -0.000 -0.314) 0.314 7.908 ( -0.000 0.000 1.094) 1.094 8.217 ( 0.000 -0.000 -0.469) 0.469======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 1.064 0.614 15.102) 15.152 1.325 ( 13.242 7.645 5.877) 16.381 1.374 ( 0.074 0.043 -4.903) 4.904 1.464 ( 4.593 2.652 -9.807) 11.149 2.170 ( 2.624 1.515 19.730) 19.962 2.624 ( -3.483 -2.011 -16.115) 16.610 4.952 ( 2.307 1.332 0.275) 2.678 5.361 ( 30.355 17.525 -2.876) 35.168 6.124 ( -4.188 -2.418 -0.141) 4.838 6.152 ( -1.957 -1.130 -0.285) 2.278 7.900 ( -0.883 -0.510 1.028) 1.448 8.101 ( -9.382 -5.417 -0.612) 10.851======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 3.208 1.852 13.512) 14.011 1.359 ( -0.052 -0.030 -1.301) 1.302 1.577 ( 7.856 4.536 -8.562) 12.474 1.646 ( 11.283 6.514 5.554) 14.163 2.326 ( 7.466 4.311 2.310) 8.925 2.636 ( 8.494 4.904 -4.615) 10.839 5.032 ( 4.472 2.582 0.140) 5.166 5.996 ( 0.533 0.308 1.529) 1.648 6.010 ( 16.159 9.329 -3.969) 19.076 6.092 ( -2.943 -1.699 -0.315) 3.413 7.811 ( -14.679 -8.475 -2.216) 17.094 7.885 ( -0.698 -0.403 2.934) 3.043======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 0.000 3.899 -8.844) 9.666 1.221 ( -0.000 7.028 15.550) 17.065 1.381 ( -0.000 3.582 6.941) 7.811 1.467 ( 0.000 8.940 -12.419) 15.302 2.216 ( -0.000 1.376 12.892) 12.965 2.583 ( 0.000 -3.143 -10.423) 10.886 4.952 ( -0.000 2.646 0.285) 2.661 5.354 ( 0.000 34.469 -1.255) 34.492 6.125 ( 0.000 -4.699 -0.323) 4.710 6.151 ( -0.000 -2.305 -0.028) 2.305 7.901 ( -0.000 -1.150 0.730) 1.362 8.101 ( 0.000 -10.625 -0.620) 10.643======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 1.436 2.487 0.000) 2.871 1.340 ( 1.916 3.318 -0.000) 3.831 1.505 ( 3.980 6.894 -0.000) 7.960 1.597 ( 6.663 11.540 -0.000) 13.326 2.288 ( 2.966 5.138 0.000) 5.933 2.583 ( 2.944 5.099 -0.000) 5.888 5.008 ( 2.447 4.239 -0.000) 4.894 5.846 ( 15.170 26.276 -0.000) 30.341 6.038 ( -3.397 -5.884 -0.000) 6.794 6.110 ( -1.597 -2.766 -0.000) 3.194 7.887 ( -0.554 -0.960 0.000) 1.109 7.902 ( -7.808 -13.523 -0.000) 15.615======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 0.00e+00 3.35e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -0.000 0.000 0.000) 0.000 1.153 ( -0.000 0.000 0.000) 0.000 1.359 ( -0.000 0.000 0.000) 0.000 1.359 ( -0.000 0.000 0.000) 0.000 2.238 ( 0.000 -0.000 -0.000) 0.000 2.629 ( -0.000 0.000 0.000) 0.000 4.926 ( -0.000 0.000 0.000) 0.000 4.926 ( -0.000 0.000 0.000) 0.000 6.175 ( -0.000 0.000 0.000) 0.000 6.175 ( -0.000 0.000 0.000) 0.000 7.913 ( -0.000 0.000 0.000) 0.000 8.215 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 216.984 216.984 373.985 0.000 -0.000 0.000 3/32928 20.0 70.081 70.081 71.630 0.000 -0.000 0.000 3/32928 30.0 40.500 40.500 35.590 0.000 -0.000 0.000 3/32928 40.0 28.574 28.574 23.121 0.000 -0.000 -0.000 3/32928 50.0 21.777 21.777 16.835 0.000 -0.000 -0.000 3/32928 60.0 17.353 17.353 13.086 0.000 -0.000 -0.000 3/32928 70.0 14.307 14.307 10.636 0.000 -0.000 -0.000 3/32928 80.0 12.124 12.124 8.934 0.000 -0.000 -0.000 3/32928 90.0 10.505 10.505 7.694 0.000 -0.000 -0.000 3/32928 100.0 9.265 9.265 6.757 0.000 -0.000 -0.000 3/32928 110.0 8.290 8.290 6.025 0.000 -0.000 -0.000 3/32928 120.0 7.503 7.503 5.439 0.000 -0.000 -0.000 3/32928 130.0 6.857 6.857 4.959 0.000 -0.000 -0.000 3/32928 140.0 6.316 6.316 4.559 0.000 -0.000 -0.000 3/32928 150.0 5.856 5.856 4.221 0.000 -0.000 -0.000 3/32928 160.0 5.461 5.461 3.930 0.000 -0.000 -0.000 3/32928 170.0 5.117 5.117 3.678 0.000 -0.000 -0.000 3/32928 180.0 4.815 4.815 3.457 0.000 -0.000 -0.000 3/32928 190.0 4.548 4.548 3.262 0.000 -0.000 -0.000 3/32928 200.0 4.309 4.309 3.088 0.000 -0.000 -0.000 3/32928 210.0 4.095 4.095 2.933 0.000 -0.000 -0.000 3/32928 220.0 3.902 3.902 2.792 0.000 -0.000 -0.000 3/32928 230.0 3.726 3.726 2.665 0.000 -0.000 -0.000 3/32928 240.0 3.566 3.566 2.549 0.000 -0.000 -0.000 3/32928 250.0 3.420 3.420 2.443 0.000 -0.000 -0.000 3/32928 260.0 3.285 3.285 2.345 0.000 -0.000 -0.000 3/32928 270.0 3.160 3.160 2.255 0.000 -0.000 -0.000 3/32928 280.0 3.045 3.045 2.172 0.000 -0.000 -0.000 3/32928 290.0 2.938 2.938 2.095 0.000 -0.000 -0.000 3/32928 300.0 2.839 2.839 2.023 0.000 -0.000 -0.000 3/32928 310.0 2.746 2.746 1.956 0.000 -0.000 -0.000 3/32928 320.0 2.659 2.659 1.894 0.000 -0.000 -0.000 3/32928 330.0 2.578 2.578 1.835 0.000 -0.000 -0.000 3/32928 340.0 2.501 2.501 1.780 0.000 -0.000 -0.000 3/32928 350.0 2.429 2.429 1.728 0.000 -0.000 -0.000 3/32928 360.0 2.361 2.361 1.679 0.000 -0.000 -0.000 3/32928 370.0 2.296 2.296 1.633 0.000 -0.000 -0.000 3/32928 380.0 2.236 2.236 1.590 0.000 -0.000 -0.000 3/32928 390.0 2.178 2.178 1.548 0.000 -0.000 -0.000 3/32928 400.0 2.123 2.123 1.509 0.000 -0.000 -0.000 3/32928 410.0 2.071 2.071 1.472 0.000 -0.000 -0.000 3/32928 420.0 2.022 2.022 1.436 0.000 -0.000 -0.000 3/32928 430.0 1.974 1.974 1.403 0.000 -0.000 -0.000 3/32928 440.0 1.929 1.929 1.370 0.000 -0.000 -0.000 3/32928 450.0 1.886 1.886 1.340 0.000 -0.000 -0.000 3/32928 460.0 1.845 1.845 1.310 0.000 -0.000 -0.000 3/32928 470.0 1.806 1.806 1.282 0.000 -0.000 -0.000 3/32928 480.0 1.768 1.768 1.255 0.000 -0.000 -0.000 3/32928 490.0 1.732 1.732 1.229 0.000 -0.000 -0.000 3/32928 500.0 1.697 1.697 1.204 0.000 -0.000 -0.000 3/32928 510.0 1.664 1.664 1.181 0.000 -0.000 -0.000 3/32928 520.0 1.632 1.632 1.158 0.000 -0.000 -0.000 3/32928 530.0 1.601 1.601 1.136 0.000 -0.000 -0.000 3/32928 540.0 1.572 1.572 1.115 0.000 -0.000 -0.000 3/32928 550.0 1.543 1.543 1.094 0.000 -0.000 -0.000 3/32928 560.0 1.515 1.515 1.075 0.000 -0.000 -0.000 3/32928 570.0 1.489 1.489 1.056 0.000 -0.000 -0.000 3/32928 580.0 1.463 1.463 1.037 0.000 -0.000 -0.000 3/32928 590.0 1.438 1.438 1.020 0.000 -0.000 -0.000 3/32928 600.0 1.414 1.414 1.003 0.000 -0.000 -0.000 3/32928 610.0 1.391 1.391 0.986 0.000 -0.000 -0.000 3/32928 620.0 1.369 1.369 0.970 0.000 -0.000 -0.000 3/32928 630.0 1.347 1.347 0.955 0.000 -0.000 -0.000 3/32928 640.0 1.326 1.326 0.940 0.000 -0.000 -0.000 3/32928 650.0 1.306 1.306 0.925 0.000 -0.000 -0.000 3/32928 660.0 1.286 1.286 0.911 0.000 -0.000 -0.000 3/32928 670.0 1.267 1.267 0.897 0.000 -0.000 -0.000 3/32928 680.0 1.248 1.248 0.884 0.000 -0.000 -0.000 3/32928 690.0 1.230 1.230 0.871 0.000 -0.000 -0.000 3/32928 700.0 1.213 1.213 0.859 0.000 -0.000 -0.000 3/32928 710.0 1.196 1.196 0.847 0.000 -0.000 -0.000 3/32928 720.0 1.179 1.179 0.835 0.000 -0.000 -0.000 3/32928 730.0 1.163 1.163 0.823 0.000 -0.000 -0.000 3/32928 740.0 1.147 1.147 0.812 0.000 -0.000 -0.000 3/32928 750.0 1.132 1.132 0.801 0.000 -0.000 -0.000 3/32928 760.0 1.117 1.117 0.791 0.000 -0.000 -0.000 3/32928 770.0 1.103 1.103 0.781 0.000 -0.000 -0.000 3/32928 780.0 1.089 1.089 0.771 0.000 -0.000 -0.000 3/32928 790.0 1.075 1.075 0.761 0.000 -0.000 -0.000 3/32928 800.0 1.061 1.061 0.751 0.000 -0.000 -0.000 3/32928 810.0 1.048 1.048 0.742 0.000 -0.000 -0.000 3/32928 820.0 1.036 1.036 0.733 0.000 -0.000 -0.000 3/32928 830.0 1.023 1.023 0.724 0.000 -0.000 -0.000 3/32928 840.0 1.011 1.011 0.715 0.000 -0.000 -0.000 3/32928 850.0 0.999 0.999 0.707 0.000 -0.000 -0.000 3/32928 860.0 0.987 0.987 0.699 0.000 -0.000 -0.000 3/32928 870.0 0.976 0.976 0.691 0.000 -0.000 -0.000 3/32928 880.0 0.965 0.965 0.683 0.000 -0.000 -0.000 3/32928 890.0 0.954 0.954 0.675 0.000 -0.000 -0.000 3/32928 900.0 0.944 0.944 0.668 0.000 -0.000 -0.000 3/32928 910.0 0.933 0.933 0.660 0.000 -0.000 -0.000 3/32928 920.0 0.923 0.923 0.653 0.000 -0.000 -0.000 3/32928 930.0 0.913 0.913 0.646 0.000 -0.000 -0.000 3/32928 940.0 0.904 0.904 0.639 0.000 -0.000 -0.000 3/32928 950.0 0.894 0.894 0.633 0.000 -0.000 -0.000 3/32928 960.0 0.885 0.885 0.626 0.000 -0.000 -0.000 3/32928 970.0 0.876 0.876 0.619 0.000 -0.000 -0.000 3/32928 980.0 0.867 0.867 0.613 0.000 -0.000 -0.000 3/32928 990.0 0.858 0.858 0.607 0.000 -0.000 -0.000 3/32928 1000.0 0.850 0.850 0.601 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:13:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|