# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/6c5312c0-b9f6-4707-b2d4-f05bf4170ca7/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 Ca2AsI / R-3m (166) / materials id 28554](https://mdr.nims.go.jp/datasets/1ff9168b-6a21-4952-bd97-3a82d6dfbac9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:18:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.164593977258007 1.249728915456150 7.332585206666658 b -2.164593977258002 1.249728915456150 7.332585206666658 c 0.000000000000001 -2.499457830912303 7.332585206666658Atomic positions (fractional): *1 Ca 0.76801798081999 0.76801798081999 0.76801798081999 40.078 2 Ca 0.23198201918001 0.23198201918002 0.23198201918001 40.078 *3 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 *4 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.329187954516009 0.000000000000000 0.000000000000000 b -2.164593977258003 3.749186746368454 0.000000000000000 c 0.000000000000000 0.000000000000000 21.997755619999996Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.76801798081999 40.078 > 1 2 Ca 0.33333333333333 0.66666666666667 0.89864868584668 40.078 > 2 3 Ca 0.66666666666667 0.33333333333333 0.10135131415332 40.078 > 1 4 Ca 0.00000000000000 0.00000000000000 0.23198201918001 40.078 > 2 5 Ca 0.33333333333333 0.66666666666667 0.43468464748665 40.078 > 1 6 Ca 0.66666666666667 0.33333333333333 0.56531535251335 40.078 > 2 *7 As 0.66666666666667 0.33333333333333 0.83333333333333 74.922 > 3 8 As 0.33333333333333 0.66666666666667 0.16666666666667 74.922 > 3 9 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 3 *10 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 4 11 I 0.66666666666667 0.33333333333333 0.33333333333333 126.904 > 4 12 I 0.33333333333333 0.66666666666667 0.66666666666667 126.904 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.987563863548026 0.000000000000000 0.000000000000000 b -6.493781931774009 11.247560239105361 0.000000000000000 c 0.000000000000000 0.000000000000000 21.997755619999996Atomic positions (fractional): *1 Ca 0.00000000000000 0.00000000000000 0.76801798081999 40.078 > 1 2 Ca 0.33333333333333 0.00000000000000 0.76801798081999 40.078 > 1 3 Ca 0.66666666666667 0.00000000000000 0.76801798081999 40.078 > 1 4 Ca 0.00000000000000 0.33333333333333 0.76801798081999 40.078 > 1 5 Ca 0.33333333333333 0.33333333333333 0.76801798081999 40.078 > 1 6 Ca 0.66666666666667 0.33333333333333 0.76801798081999 40.078 > 1 7 Ca 0.00000000000000 0.66666666666667 0.76801798081999 40.078 > 1 8 Ca 0.33333333333333 0.66666666666667 0.76801798081999 40.078 > 1 9 Ca 0.66666666666667 0.66666666666667 0.76801798081999 40.078 > 1 10 Ca 0.11111111111111 0.22222222222222 0.89864868584668 40.078 > 2 11 Ca 0.44444444444444 0.22222222222222 0.89864868584668 40.078 > 2 12 Ca 0.77777777777778 0.22222222222222 0.89864868584668 40.078 > 2 13 Ca 0.11111111111111 0.55555555555556 0.89864868584668 40.078 > 2 14 Ca 0.44444444444444 0.55555555555556 0.89864868584668 40.078 > 2 15 Ca 0.77777777777778 0.55555555555556 0.89864868584668 40.078 > 2 16 Ca 0.11111111111111 0.88888888888889 0.89864868584668 40.078 > 2 17 Ca 0.44444444444444 0.88888888888889 0.89864868584668 40.078 > 2 18 Ca 0.77777777777778 0.88888888888889 0.89864868584668 40.078 > 2 19 Ca 0.22222222222222 0.11111111111111 0.10135131415332 40.078 > 1 20 Ca 0.55555555555556 0.11111111111111 0.10135131415332 40.078 > 1 21 Ca 0.88888888888889 0.11111111111111 0.10135131415332 40.078 > 1 22 Ca 0.22222222222222 0.44444444444444 0.10135131415332 40.078 > 1 23 Ca 0.55555555555556 0.44444444444444 0.10135131415332 40.078 > 1 24 Ca 0.88888888888889 0.44444444444444 0.10135131415332 40.078 > 1 25 Ca 0.22222222222222 0.77777777777778 0.10135131415332 40.078 > 1 26 Ca 0.55555555555556 0.77777777777778 0.10135131415332 40.078 > 1 27 Ca 0.88888888888889 0.77777777777778 0.10135131415332 40.078 > 1 28 Ca 0.00000000000000 0.00000000000000 0.23198201918001 40.078 > 2 29 Ca 0.33333333333333 0.00000000000000 0.23198201918001 40.078 > 2 30 Ca 0.66666666666667 0.00000000000000 0.23198201918001 40.078 > 2 31 Ca 0.00000000000000 0.33333333333333 0.23198201918001 40.078 > 2 32 Ca 0.33333333333333 0.33333333333333 0.23198201918001 40.078 > 2 33 Ca 0.66666666666667 0.33333333333333 0.23198201918001 40.078 > 2 34 Ca 0.00000000000000 0.66666666666667 0.23198201918001 40.078 > 2 35 Ca 0.33333333333333 0.66666666666667 0.23198201918001 40.078 > 2 36 Ca 0.66666666666667 0.66666666666667 0.23198201918001 40.078 > 2 37 Ca 0.11111111111111 0.22222222222222 0.43468464748665 40.078 > 1 38 Ca 0.44444444444444 0.22222222222222 0.43468464748665 40.078 > 1 39 Ca 0.77777777777778 0.22222222222222 0.43468464748665 40.078 > 1 40 Ca 0.11111111111111 0.55555555555556 0.43468464748665 40.078 > 1 41 Ca 0.44444444444444 0.55555555555556 0.43468464748665 40.078 > 1 42 Ca 0.77777777777778 0.55555555555556 0.43468464748665 40.078 > 1 43 Ca 0.11111111111111 0.88888888888889 0.43468464748665 40.078 > 1 44 Ca 0.44444444444444 0.88888888888889 0.43468464748665 40.078 > 1 45 Ca 0.77777777777778 0.88888888888889 0.43468464748665 40.078 > 1 46 Ca 0.22222222222222 0.11111111111111 0.56531535251335 40.078 > 2 47 Ca 0.55555555555556 0.11111111111111 0.56531535251335 40.078 > 2 48 Ca 0.88888888888889 0.11111111111111 0.56531535251335 40.078 > 2 49 Ca 0.22222222222222 0.44444444444444 0.56531535251335 40.078 > 2 50 Ca 0.55555555555556 0.44444444444444 0.56531535251335 40.078 > 2 51 Ca 0.88888888888889 0.44444444444444 0.56531535251335 40.078 > 2 52 Ca 0.22222222222222 0.77777777777778 0.56531535251335 40.078 > 2 53 Ca 0.55555555555556 0.77777777777778 0.56531535251335 40.078 > 2 54 Ca 0.88888888888889 0.77777777777778 0.56531535251335 40.078 > 2 *55 As 0.22222222222222 0.11111111111111 0.83333333333333 74.922 > 3 56 As 0.55555555555556 0.11111111111111 0.83333333333333 74.922 > 3 57 As 0.88888888888889 0.11111111111111 0.83333333333333 74.922 > 3 58 As 0.22222222222222 0.44444444444444 0.83333333333333 74.922 > 3 59 As 0.55555555555556 0.44444444444444 0.83333333333333 74.922 > 3 60 As 0.88888888888889 0.44444444444444 0.83333333333333 74.922 > 3 61 As 0.22222222222222 0.77777777777778 0.83333333333333 74.922 > 3 62 As 0.55555555555556 0.77777777777778 0.83333333333333 74.922 > 3 63 As 0.88888888888889 0.77777777777778 0.83333333333333 74.922 > 3 64 As 0.11111111111111 0.22222222222222 0.16666666666667 74.922 > 3 65 As 0.44444444444444 0.22222222222222 0.16666666666667 74.922 > 3 66 As 0.77777777777778 0.22222222222222 0.16666666666667 74.922 > 3 67 As 0.11111111111111 0.55555555555556 0.16666666666667 74.922 > 3 68 As 0.44444444444444 0.55555555555556 0.16666666666667 74.922 > 3 69 As 0.77777777777778 0.55555555555556 0.16666666666667 74.922 > 3 70 As 0.11111111111111 0.88888888888889 0.16666666666667 74.922 > 3 71 As 0.44444444444444 0.88888888888889 0.16666666666667 74.922 > 3 72 As 0.77777777777778 0.88888888888889 0.16666666666667 74.922 > 3 73 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 3 74 As 0.33333333333333 0.00000000000000 0.50000000000000 74.922 > 3 75 As 0.66666666666667 0.00000000000000 0.50000000000000 74.922 > 3 76 As 0.00000000000000 0.33333333333333 0.50000000000000 74.922 > 3 77 As 0.33333333333333 0.33333333333333 0.50000000000000 74.922 > 3 78 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 3 79 As 0.00000000000000 0.66666666666667 0.50000000000000 74.922 > 3 80 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 3 81 As 0.66666666666667 0.66666666666667 0.50000000000000 74.922 > 3 *82 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 4 83 I 0.33333333333333 0.00000000000000 0.00000000000000 126.904 > 4 84 I 0.66666666666667 0.00000000000000 0.00000000000000 126.904 > 4 85 I 0.00000000000000 0.33333333333333 0.00000000000000 126.904 > 4 86 I 0.33333333333333 0.33333333333333 0.00000000000000 126.904 > 4 87 I 0.66666666666667 0.33333333333333 0.00000000000000 126.904 > 4 88 I 0.00000000000000 0.66666666666667 0.00000000000000 126.904 > 4 89 I 0.33333333333333 0.66666666666667 0.00000000000000 126.904 > 4 90 I 0.66666666666667 0.66666666666667 0.00000000000000 126.904 > 4 91 I 0.22222222222222 0.11111111111111 0.33333333333333 126.904 > 4 92 I 0.55555555555556 0.11111111111111 0.33333333333333 126.904 > 4 93 I 0.88888888888889 0.11111111111111 0.33333333333333 126.904 > 4 94 I 0.22222222222222 0.44444444444444 0.33333333333333 126.904 > 4 95 I 0.55555555555556 0.44444444444444 0.33333333333333 126.904 > 4 96 I 0.88888888888889 0.44444444444444 0.33333333333333 126.904 > 4 97 I 0.22222222222222 0.77777777777778 0.33333333333333 126.904 > 4 98 I 0.55555555555556 0.77777777777778 0.33333333333333 126.904 > 4 99 I 0.88888888888889 0.77777777777778 0.33333333333333 126.904 > 4 100 I 0.11111111111111 0.22222222222222 0.66666666666667 126.904 > 4 101 I 0.44444444444444 0.22222222222222 0.66666666666667 126.904 > 4 102 I 0.77777777777778 0.22222222222222 0.66666666666667 126.904 > 4 103 I 0.11111111111111 0.55555555555556 0.66666666666667 126.904 > 4 104 I 0.44444444444444 0.55555555555556 0.66666666666667 126.904 > 4 105 I 0.77777777777778 0.55555555555556 0.66666666666667 126.904 > 4 106 I 0.11111111111111 0.88888888888889 0.66666666666667 126.904 > 4 107 I 0.44444444444444 0.88888888888889 0.66666666666667 126.904 > 4 108 I 0.77777777777778 0.88888888888889 0.66666666666667 126.904 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.1692433 0.0000000 0.0000000 0.0000000 7.1692433 0.0000000 0.0000000 0.0000000 6.1761376-------------------------- Born effective charges -------------------------- 1 Ca 2.4047432 0.0000000 0.0000000 0.0000000 2.4047432 0.0000000 0.0000000 0.0000000 2.0214536 2 Ca 2.4047432 0.0000000 0.0000000 0.0000000 2.4047432 0.0000000 0.0000000 0.0000000 2.0214536 3 As -3.4167840 -0.0000000 0.0000000 0.0000000 -3.4167840 0.0000000 0.0000000 0.0000000 -2.3325417 4 I -1.3927024 -0.0000000 0.0000000 0.0000000 -1.3927024 0.0000000 0.0000000 0.0000000 -1.7103655----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 63Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 54Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (1, 1), data: True|-- (54, 51), data: True|-- (63, 63), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.153Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.163--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 63Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 54Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (1, 1), data: True|-- (54, 51), data: True|-- (63, 63), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:18:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:18:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.164593977258007 1.249728915456150 7.332585206666658 b -2.164593977258002 1.249728915456150 7.332585206666658 c 0.000000000000001 -2.499457830912303 7.332585206666658Atomic positions (fractional): 1 Ca 0.76801798081999 0.76801798081999 0.76801798081999 40.078 2 Ca 0.23198201918001 0.23198201918002 0.23198201918001 40.078 3 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 4 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904-------------------------------- supercell ---------------------------------Lattice vectors: a 12.987563863548026 0.000000000000000 0.000000000000000 b -6.493781931774009 11.247560239105361 0.000000000000000 c 0.000000000000000 0.000000000000000 21.997755619999996Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.76801798081999 40.078 > 1 2 Ca 0.33333333333333 0.00000000000000 0.76801798081999 40.078 > 1 3 Ca 0.66666666666667 0.00000000000000 0.76801798081999 40.078 > 1 4 Ca 0.00000000000000 0.33333333333333 0.76801798081999 40.078 > 1 5 Ca 0.33333333333333 0.33333333333333 0.76801798081999 40.078 > 1 6 Ca 0.66666666666667 0.33333333333333 0.76801798081999 40.078 > 1 7 Ca 0.00000000000000 0.66666666666667 0.76801798081999 40.078 > 1 8 Ca 0.33333333333333 0.66666666666667 0.76801798081999 40.078 > 1 9 Ca 0.66666666666667 0.66666666666667 0.76801798081999 40.078 > 1 10 Ca 0.11111111111111 0.22222222222222 0.89864868584668 40.078 > 10 11 Ca 0.44444444444444 0.22222222222222 0.89864868584668 40.078 > 10 12 Ca 0.77777777777778 0.22222222222222 0.89864868584668 40.078 > 10 13 Ca 0.11111111111111 0.55555555555556 0.89864868584668 40.078 > 10 14 Ca 0.44444444444444 0.55555555555556 0.89864868584668 40.078 > 10 15 Ca 0.77777777777778 0.55555555555556 0.89864868584668 40.078 > 10 16 Ca 0.11111111111111 0.88888888888889 0.89864868584668 40.078 > 10 17 Ca 0.44444444444444 0.88888888888889 0.89864868584668 40.078 > 10 18 Ca 0.77777777777778 0.88888888888889 0.89864868584668 40.078 > 10 19 Ca 0.22222222222222 0.11111111111111 0.10135131415332 40.078 > 1 20 Ca 0.55555555555556 0.11111111111111 0.10135131415332 40.078 > 1 21 Ca 0.88888888888889 0.11111111111111 0.10135131415332 40.078 > 1 22 Ca 0.22222222222222 0.44444444444444 0.10135131415332 40.078 > 1 23 Ca 0.55555555555556 0.44444444444444 0.10135131415332 40.078 > 1 24 Ca 0.88888888888889 0.44444444444444 0.10135131415332 40.078 > 1 25 Ca 0.22222222222222 0.77777777777778 0.10135131415332 40.078 > 1 26 Ca 0.55555555555556 0.77777777777778 0.10135131415332 40.078 > 1 27 Ca 0.88888888888889 0.77777777777778 0.10135131415332 40.078 > 1 28 Ca 0.00000000000000 0.00000000000000 0.23198201918001 40.078 > 10 29 Ca 0.33333333333333 0.00000000000000 0.23198201918001 40.078 > 10 30 Ca 0.66666666666667 0.00000000000000 0.23198201918001 40.078 > 10 31 Ca 0.00000000000000 0.33333333333333 0.23198201918001 40.078 > 10 32 Ca 0.33333333333333 0.33333333333333 0.23198201918001 40.078 > 10 33 Ca 0.66666666666667 0.33333333333333 0.23198201918001 40.078 > 10 34 Ca 0.00000000000000 0.66666666666667 0.23198201918001 40.078 > 10 35 Ca 0.33333333333333 0.66666666666667 0.23198201918001 40.078 > 10 36 Ca 0.66666666666667 0.66666666666667 0.23198201918001 40.078 > 10 37 Ca 0.11111111111111 0.22222222222222 0.43468464748665 40.078 > 1 38 Ca 0.44444444444444 0.22222222222222 0.43468464748665 40.078 > 1 39 Ca 0.77777777777778 0.22222222222222 0.43468464748665 40.078 > 1 40 Ca 0.11111111111111 0.55555555555556 0.43468464748665 40.078 > 1 41 Ca 0.44444444444444 0.55555555555556 0.43468464748665 40.078 > 1 42 Ca 0.77777777777778 0.55555555555556 0.43468464748665 40.078 > 1 43 Ca 0.11111111111111 0.88888888888889 0.43468464748665 40.078 > 1 44 Ca 0.44444444444444 0.88888888888889 0.43468464748665 40.078 > 1 45 Ca 0.77777777777778 0.88888888888889 0.43468464748665 40.078 > 1 46 Ca 0.22222222222222 0.11111111111111 0.56531535251335 40.078 > 10 47 Ca 0.55555555555556 0.11111111111111 0.56531535251335 40.078 > 10 48 Ca 0.88888888888889 0.11111111111111 0.56531535251335 40.078 > 10 49 Ca 0.22222222222222 0.44444444444444 0.56531535251335 40.078 > 10 50 Ca 0.55555555555556 0.44444444444444 0.56531535251335 40.078 > 10 51 Ca 0.88888888888889 0.44444444444444 0.56531535251335 40.078 > 10 52 Ca 0.22222222222222 0.77777777777778 0.56531535251335 40.078 > 10 53 Ca 0.55555555555556 0.77777777777778 0.56531535251335 40.078 > 10 54 Ca 0.88888888888889 0.77777777777778 0.56531535251335 40.078 > 10 55 As 0.22222222222222 0.11111111111111 0.83333333333333 74.922 > 55 56 As 0.55555555555556 0.11111111111111 0.83333333333333 74.922 > 55 57 As 0.88888888888889 0.11111111111111 0.83333333333333 74.922 > 55 58 As 0.22222222222222 0.44444444444444 0.83333333333333 74.922 > 55 59 As 0.55555555555556 0.44444444444444 0.83333333333333 74.922 > 55 60 As 0.88888888888889 0.44444444444444 0.83333333333333 74.922 > 55 61 As 0.22222222222222 0.77777777777778 0.83333333333333 74.922 > 55 62 As 0.55555555555556 0.77777777777778 0.83333333333333 74.922 > 55 63 As 0.88888888888889 0.77777777777778 0.83333333333333 74.922 > 55 64 As 0.11111111111111 0.22222222222222 0.16666666666667 74.922 > 55 65 As 0.44444444444444 0.22222222222222 0.16666666666667 74.922 > 55 66 As 0.77777777777778 0.22222222222222 0.16666666666667 74.922 > 55 67 As 0.11111111111111 0.55555555555556 0.16666666666667 74.922 > 55 68 As 0.44444444444444 0.55555555555556 0.16666666666667 74.922 > 55 69 As 0.77777777777778 0.55555555555556 0.16666666666667 74.922 > 55 70 As 0.11111111111111 0.88888888888889 0.16666666666667 74.922 > 55 71 As 0.44444444444444 0.88888888888889 0.16666666666667 74.922 > 55 72 As 0.77777777777778 0.88888888888889 0.16666666666667 74.922 > 55 73 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 55 74 As 0.33333333333333 0.00000000000000 0.50000000000000 74.922 > 55 75 As 0.66666666666667 0.00000000000000 0.50000000000000 74.922 > 55 76 As 0.00000000000000 0.33333333333333 0.50000000000000 74.922 > 55 77 As 0.33333333333333 0.33333333333333 0.50000000000000 74.922 > 55 78 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 55 79 As 0.00000000000000 0.66666666666667 0.50000000000000 74.922 > 55 80 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 55 81 As 0.66666666666667 0.66666666666667 0.50000000000000 74.922 > 55 82 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 82 83 I 0.33333333333333 0.00000000000000 0.00000000000000 126.904 > 82 84 I 0.66666666666667 0.00000000000000 0.00000000000000 126.904 > 82 85 I 0.00000000000000 0.33333333333333 0.00000000000000 126.904 > 82 86 I 0.33333333333333 0.33333333333333 0.00000000000000 126.904 > 82 87 I 0.66666666666667 0.33333333333333 0.00000000000000 126.904 > 82 88 I 0.00000000000000 0.66666666666667 0.00000000000000 126.904 > 82 89 I 0.33333333333333 0.66666666666667 0.00000000000000 126.904 > 82 90 I 0.66666666666667 0.66666666666667 0.00000000000000 126.904 > 82 91 I 0.22222222222222 0.11111111111111 0.33333333333333 126.904 > 82 92 I 0.55555555555556 0.11111111111111 0.33333333333333 126.904 > 82 93 I 0.88888888888889 0.11111111111111 0.33333333333333 126.904 > 82 94 I 0.22222222222222 0.44444444444444 0.33333333333333 126.904 > 82 95 I 0.55555555555556 0.44444444444444 0.33333333333333 126.904 > 82 96 I 0.88888888888889 0.44444444444444 0.33333333333333 126.904 > 82 97 I 0.22222222222222 0.77777777777778 0.33333333333333 126.904 > 82 98 I 0.55555555555556 0.77777777777778 0.33333333333333 126.904 > 82 99 I 0.88888888888889 0.77777777777778 0.33333333333333 126.904 > 82 100 I 0.11111111111111 0.22222222222222 0.66666666666667 126.904 > 82 101 I 0.44444444444444 0.22222222222222 0.66666666666667 126.904 > 82 102 I 0.77777777777778 0.22222222222222 0.66666666666667 126.904 > 82 103 I 0.11111111111111 0.55555555555556 0.66666666666667 126.904 > 82 104 I 0.44444444444444 0.55555555555556 0.66666666666667 126.904 > 82 105 I 0.77777777777778 0.55555555555556 0.66666666666667 126.904 > 82 106 I 0.11111111111111 0.88888888888889 0.66666666666667 126.904 > 82 107 I 0.44444444444444 0.88888888888889 0.66666666666667 126.904 > 82 108 I 0.77777777777778 0.88888888888889 0.66666666666667 126.904 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.1692433 0.0000000 0.0000000 0.0000000 7.1692433 0.0000000 0.0000000 0.0000000 6.1761376-------------------------- Born effective charges -------------------------- 1 Ca 2.4047432 0.0000000 0.0000000 0.0000000 2.4047432 0.0000000 0.0000000 0.0000000 2.0214536 2 Ca 2.4047432 0.0000000 0.0000000 0.0000000 2.4047432 0.0000000 0.0000000 0.0000000 2.0214536 3 As -3.4167840 -0.0000000 0.0000000 0.0000000 -3.4167840 0.0000000 0.0000000 0.0000000 -2.3325417 4 I -1.3927024 -0.0000000 0.0000000 0.0000000 -1.3927024 0.0000000 0.0000000 0.0000000 -1.7103655----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:18:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:18:28]-------------------------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 2.164593977258007 1.249728915456150 7.332585206666658 b -2.164593977258002 1.249728915456150 7.332585206666658 c 0.000000000000001 -2.499457830912303 7.332585206666658Atomic positions (fractional): 1 Ca 0.76801798081999 0.76801798081999 0.76801798081999 40.078 2 Ca 0.23198201918001 0.23198201918002 0.23198201918001 40.078 3 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 4 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904-------------------------------- supercell ---------------------------------Lattice vectors: a 12.987563863548026 0.000000000000000 0.000000000000000 b -6.493781931774009 11.247560239105361 0.000000000000000 c 0.000000000000000 0.000000000000000 21.997755619999996Atomic positions (fractional): 1 Ca 0.00000000000000 0.00000000000000 0.76801798081999 40.078 > 1 2 Ca 0.33333333333333 0.00000000000000 0.76801798081999 40.078 > 1 3 Ca 0.66666666666667 0.00000000000000 0.76801798081999 40.078 > 1 4 Ca 0.00000000000000 0.33333333333333 0.76801798081999 40.078 > 1 5 Ca 0.33333333333333 0.33333333333333 0.76801798081999 40.078 > 1 6 Ca 0.66666666666667 0.33333333333333 0.76801798081999 40.078 > 1 7 Ca 0.00000000000000 0.66666666666667 0.76801798081999 40.078 > 1 8 Ca 0.33333333333333 0.66666666666667 0.76801798081999 40.078 > 1 9 Ca 0.66666666666667 0.66666666666667 0.76801798081999 40.078 > 1 10 Ca 0.11111111111111 0.22222222222222 0.89864868584668 40.078 > 10 11 Ca 0.44444444444444 0.22222222222222 0.89864868584668 40.078 > 10 12 Ca 0.77777777777778 0.22222222222222 0.89864868584668 40.078 > 10 13 Ca 0.11111111111111 0.55555555555556 0.89864868584668 40.078 > 10 14 Ca 0.44444444444444 0.55555555555556 0.89864868584668 40.078 > 10 15 Ca 0.77777777777778 0.55555555555556 0.89864868584668 40.078 > 10 16 Ca 0.11111111111111 0.88888888888889 0.89864868584668 40.078 > 10 17 Ca 0.44444444444444 0.88888888888889 0.89864868584668 40.078 > 10 18 Ca 0.77777777777778 0.88888888888889 0.89864868584668 40.078 > 10 19 Ca 0.22222222222222 0.11111111111111 0.10135131415332 40.078 > 1 20 Ca 0.55555555555556 0.11111111111111 0.10135131415332 40.078 > 1 21 Ca 0.88888888888889 0.11111111111111 0.10135131415332 40.078 > 1 22 Ca 0.22222222222222 0.44444444444444 0.10135131415332 40.078 > 1 23 Ca 0.55555555555556 0.44444444444444 0.10135131415332 40.078 > 1 24 Ca 0.88888888888889 0.44444444444444 0.10135131415332 40.078 > 1 25 Ca 0.22222222222222 0.77777777777778 0.10135131415332 40.078 > 1 26 Ca 0.55555555555556 0.77777777777778 0.10135131415332 40.078 > 1 27 Ca 0.88888888888889 0.77777777777778 0.10135131415332 40.078 > 1 28 Ca 0.00000000000000 0.00000000000000 0.23198201918001 40.078 > 10 29 Ca 0.33333333333333 0.00000000000000 0.23198201918001 40.078 > 10 30 Ca 0.66666666666667 0.00000000000000 0.23198201918001 40.078 > 10 31 Ca 0.00000000000000 0.33333333333333 0.23198201918001 40.078 > 10 32 Ca 0.33333333333333 0.33333333333333 0.23198201918001 40.078 > 10 33 Ca 0.66666666666667 0.33333333333333 0.23198201918001 40.078 > 10 34 Ca 0.00000000000000 0.66666666666667 0.23198201918001 40.078 > 10 35 Ca 0.33333333333333 0.66666666666667 0.23198201918001 40.078 > 10 36 Ca 0.66666666666667 0.66666666666667 0.23198201918001 40.078 > 10 37 Ca 0.11111111111111 0.22222222222222 0.43468464748665 40.078 > 1 38 Ca 0.44444444444444 0.22222222222222 0.43468464748665 40.078 > 1 39 Ca 0.77777777777778 0.22222222222222 0.43468464748665 40.078 > 1 40 Ca 0.11111111111111 0.55555555555556 0.43468464748665 40.078 > 1 41 Ca 0.44444444444444 0.55555555555556 0.43468464748665 40.078 > 1 42 Ca 0.77777777777778 0.55555555555556 0.43468464748665 40.078 > 1 43 Ca 0.11111111111111 0.88888888888889 0.43468464748665 40.078 > 1 44 Ca 0.44444444444444 0.88888888888889 0.43468464748665 40.078 > 1 45 Ca 0.77777777777778 0.88888888888889 0.43468464748665 40.078 > 1 46 Ca 0.22222222222222 0.11111111111111 0.56531535251335 40.078 > 10 47 Ca 0.55555555555556 0.11111111111111 0.56531535251335 40.078 > 10 48 Ca 0.88888888888889 0.11111111111111 0.56531535251335 40.078 > 10 49 Ca 0.22222222222222 0.44444444444444 0.56531535251335 40.078 > 10 50 Ca 0.55555555555556 0.44444444444444 0.56531535251335 40.078 > 10 51 Ca 0.88888888888889 0.44444444444444 0.56531535251335 40.078 > 10 52 Ca 0.22222222222222 0.77777777777778 0.56531535251335 40.078 > 10 53 Ca 0.55555555555556 0.77777777777778 0.56531535251335 40.078 > 10 54 Ca 0.88888888888889 0.77777777777778 0.56531535251335 40.078 > 10 55 As 0.22222222222222 0.11111111111111 0.83333333333333 74.922 > 55 56 As 0.55555555555556 0.11111111111111 0.83333333333333 74.922 > 55 57 As 0.88888888888889 0.11111111111111 0.83333333333333 74.922 > 55 58 As 0.22222222222222 0.44444444444444 0.83333333333333 74.922 > 55 59 As 0.55555555555556 0.44444444444444 0.83333333333333 74.922 > 55 60 As 0.88888888888889 0.44444444444444 0.83333333333333 74.922 > 55 61 As 0.22222222222222 0.77777777777778 0.83333333333333 74.922 > 55 62 As 0.55555555555556 0.77777777777778 0.83333333333333 74.922 > 55 63 As 0.88888888888889 0.77777777777778 0.83333333333333 74.922 > 55 64 As 0.11111111111111 0.22222222222222 0.16666666666667 74.922 > 55 65 As 0.44444444444444 0.22222222222222 0.16666666666667 74.922 > 55 66 As 0.77777777777778 0.22222222222222 0.16666666666667 74.922 > 55 67 As 0.11111111111111 0.55555555555556 0.16666666666667 74.922 > 55 68 As 0.44444444444444 0.55555555555556 0.16666666666667 74.922 > 55 69 As 0.77777777777778 0.55555555555556 0.16666666666667 74.922 > 55 70 As 0.11111111111111 0.88888888888889 0.16666666666667 74.922 > 55 71 As 0.44444444444444 0.88888888888889 0.16666666666667 74.922 > 55 72 As 0.77777777777778 0.88888888888889 0.16666666666667 74.922 > 55 73 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 55 74 As 0.33333333333333 0.00000000000000 0.50000000000000 74.922 > 55 75 As 0.66666666666667 0.00000000000000 0.50000000000000 74.922 > 55 76 As 0.00000000000000 0.33333333333333 0.50000000000000 74.922 > 55 77 As 0.33333333333333 0.33333333333333 0.50000000000000 74.922 > 55 78 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 55 79 As 0.00000000000000 0.66666666666667 0.50000000000000 74.922 > 55 80 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 55 81 As 0.66666666666667 0.66666666666667 0.50000000000000 74.922 > 55 82 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 82 83 I 0.33333333333333 0.00000000000000 0.00000000000000 126.904 > 82 84 I 0.66666666666667 0.00000000000000 0.00000000000000 126.904 > 82 85 I 0.00000000000000 0.33333333333333 0.00000000000000 126.904 > 82 86 I 0.33333333333333 0.33333333333333 0.00000000000000 126.904 > 82 87 I 0.66666666666667 0.33333333333333 0.00000000000000 126.904 > 82 88 I 0.00000000000000 0.66666666666667 0.00000000000000 126.904 > 82 89 I 0.33333333333333 0.66666666666667 0.00000000000000 126.904 > 82 90 I 0.66666666666667 0.66666666666667 0.00000000000000 126.904 > 82 91 I 0.22222222222222 0.11111111111111 0.33333333333333 126.904 > 82 92 I 0.55555555555556 0.11111111111111 0.33333333333333 126.904 > 82 93 I 0.88888888888889 0.11111111111111 0.33333333333333 126.904 > 82 94 I 0.22222222222222 0.44444444444444 0.33333333333333 126.904 > 82 95 I 0.55555555555556 0.44444444444444 0.33333333333333 126.904 > 82 96 I 0.88888888888889 0.44444444444444 0.33333333333333 126.904 > 82 97 I 0.22222222222222 0.77777777777778 0.33333333333333 126.904 > 82 98 I 0.55555555555556 0.77777777777778 0.33333333333333 126.904 > 82 99 I 0.88888888888889 0.77777777777778 0.33333333333333 126.904 > 82 100 I 0.11111111111111 0.22222222222222 0.66666666666667 126.904 > 82 101 I 0.44444444444444 0.22222222222222 0.66666666666667 126.904 > 82 102 I 0.77777777777778 0.22222222222222 0.66666666666667 126.904 > 82 103 I 0.11111111111111 0.55555555555556 0.66666666666667 126.904 > 82 104 I 0.44444444444444 0.55555555555556 0.66666666666667 126.904 > 82 105 I 0.77777777777778 0.55555555555556 0.66666666666667 126.904 > 82 106 I 0.11111111111111 0.88888888888889 0.66666666666667 126.904 > 82 107 I 0.44444444444444 0.88888888888889 0.66666666666667 126.904 > 82 108 I 0.77777777777778 0.88888888888889 0.66666666666667 126.904 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.1692433 0.0000000 0.0000000 0.0000000 7.1692433 0.0000000 0.0000000 0.0000000 6.1761376-------------------------- Born effective charges -------------------------- 1 Ca 2.4047432 0.0000000 0.0000000 0.0000000 2.4047432 0.0000000 0.0000000 0.0000000 2.0214536 2 Ca 2.4047432 0.0000000 0.0000000 0.0000000 2.4047432 0.0000000 0.0000000 0.0000000 2.0214536 3 As -3.4167840 -0.0000000 0.0000000 0.0000000 -3.4167840 0.0000000 0.0000000 0.0000000 -2.3325417 4 I -1.3927024 -0.0000000 0.0000000 0.0000000 -1.3927024 0.0000000 0.0000000 0.0000000 -1.7103655----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.84, Number of G-points: 313, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 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 1.884 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.410 ( 18.770 10.837 -1.859) 21.754 0.414 ( 18.524 10.695 0.070) 21.389 0.786 ( 31.978 18.463 9.432) 38.111 1.908 ( 2.098 1.211 1.077) 2.651 2.118 ( 8.488 4.900 -5.212) 11.101 2.853 ( -3.271 -1.889 1.246) 3.978 4.761 ( -1.822 -1.052 0.797) 2.249 4.838 ( 4.485 2.590 3.464) 6.231 5.496 ( -1.477 -0.853 4.716) 5.015 5.826 ( 1.518 0.877 0.733) 1.901 6.859 ( -7.675 -4.431 -0.071) 8.863 7.498 ( -1.178 -0.680 -12.618) 12.691======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 17.085 9.864 -0.800) 19.744 0.810 ( 18.368 10.605 -4.033) 21.589 1.412 ( 21.274 12.283 8.658) 26.047 1.985 ( 4.517 2.608 1.966) 5.574 2.382 ( 16.888 9.750 -7.614) 20.935 2.775 ( -2.871 -1.658 -0.636) 3.376 4.710 ( -2.997 -1.730 1.181) 3.657 4.982 ( 6.333 3.656 8.116) 10.924 5.470 ( -2.061 -1.190 3.317) 4.082 5.870 ( 1.978 1.142 1.034) 2.507 6.627 ( -12.881 -7.437 0.337) 14.877 7.395 ( -4.522 -2.611 -12.822) 13.844======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( 13.927 8.041 -1.639) 16.165 1.190 ( 17.638 10.183 -6.541) 21.391 1.782 ( 11.049 6.379 6.072) 14.129 2.123 ( 7.421 4.285 2.346) 8.885 2.606 ( 1.267 0.732 -5.069) 5.276 2.907 ( 18.250 10.537 -2.690) 21.244 4.641 ( -3.499 -2.020 1.073) 4.181 5.134 ( 2.798 1.615 15.015) 15.359 5.439 ( -0.226 -0.130 -1.135) 1.165 5.910 ( 1.316 0.760 0.737) 1.688 6.325 ( -13.884 -8.016 1.115) 16.071 7.217 ( -7.424 -4.286 -15.474) 17.690======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 9.531 5.503 -1.783) 11.149 1.543 ( 16.545 9.552 -7.965) 20.698 1.974 ( 5.658 3.267 2.668) 7.057 2.322 ( 9.711 5.607 1.872) 11.369 2.614 ( 1.587 0.916 2.870) 3.405 3.307 ( 16.746 9.668 -4.999) 19.973 4.566 ( -3.507 -2.025 0.715) 4.113 5.131 ( -7.743 -4.470 14.267) 16.837 5.502 ( 6.050 3.493 -0.996) 7.056 5.929 ( 0.203 0.117 0.088) 0.251 6.063 ( -9.549 -5.513 1.828) 11.177 6.974 ( -9.561 -5.520 -17.144) 20.391======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 5.601 3.234 -1.277) 6.593 1.857 ( 13.909 8.030 -7.235) 17.615 2.070 ( 3.050 1.761 0.993) 3.660 2.541 ( 9.245 5.337 0.913) 10.714 2.708 ( 5.172 2.986 7.431) 9.534 3.582 ( 9.700 5.600 -2.986) 11.592 4.495 ( -2.998 -1.731 0.392) 3.483 4.922 ( -13.507 -7.798 6.845) 17.032 5.644 ( 5.771 3.332 1.681) 6.873 5.923 ( -0.578 -0.334 -0.420) 0.789 5.947 ( -1.255 -0.724 2.194) 2.629 6.698 ( -10.402 -6.005 -15.722) 19.785======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 2.588 1.494 -0.621) 3.053 2.075 ( 6.241 3.603 -3.585) 8.049 2.134 ( 3.300 1.905 -0.040) 3.810 2.711 ( 5.592 3.229 0.231) 6.461 2.862 ( 5.821 3.361 5.950) 8.976 3.743 ( 5.963 3.443 0.608) 6.912 4.442 ( -1.801 -1.040 0.184) 2.087 4.622 ( -13.530 -7.811 0.764) 15.641 5.742 ( 2.515 1.452 1.838) 3.436 5.907 ( -0.596 -0.344 -0.428) 0.810 6.013 ( 5.940 3.430 2.049) 7.159 6.428 ( -9.975 -5.759 -10.710) 15.728======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 -0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 -0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 6.171 ( -0.000 -0.000 -0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.456 ( -0.000 21.807 5.988) 22.614 0.465 ( -0.000 20.815 10.022) 23.102 0.780 ( -0.000 35.052 8.787) 36.137 1.887 ( 0.000 1.567 -3.217) 3.578 2.123 ( 0.000 12.071 -3.693) 12.623 2.865 ( -0.000 -5.204 3.003) 6.008 4.751 ( 0.000 -2.530 -1.178) 2.791 4.812 ( 0.000 3.379 -1.081) 3.547 5.510 ( -0.000 -3.064 6.863) 7.516 5.820 ( 0.000 1.500 -0.349) 1.540 6.857 ( 0.000 -8.962 -0.372) 8.969 7.487 ( 0.000 4.007 -13.849) 14.417======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( 5.832 17.323 6.205) 19.303 0.802 ( 8.408 21.893 1.004) 23.474 1.277 ( 16.318 21.888 9.776) 28.999 1.938 ( 4.560 2.674 -2.520) 5.856 2.301 ( 6.105 17.723 -3.994) 19.166 2.788 ( -2.686 -4.615 -1.393) 5.519 4.779 ( -1.720 1.382 -1.884) 2.901 4.842 ( 7.758 -2.726 3.588) 8.972 5.494 ( -1.061 -2.539 5.320) 5.990 5.867 ( 2.617 2.798 0.290) 3.842 6.696 ( -6.625 -12.111 -0.301) 13.808 7.424 ( -5.395 0.652 -10.476) 11.802======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 10.808 12.523 1.579) 16.617 1.143 ( 8.867 19.575 -2.581) 21.644 1.691 ( 11.479 10.056 7.651) 17.071 2.071 ( 6.924 6.173 -0.202) 9.279 2.573 ( 4.122 10.994 -8.323) 14.392 2.765 ( 8.024 5.105 0.239) 9.513 4.717 ( -5.596 1.288 -0.381) 5.755 5.005 ( 12.759 -5.914 7.923) 16.141 5.460 ( -2.112 -1.617 2.973) 3.990 5.941 ( 1.143 4.851 1.160) 5.117 6.431 ( -10.188 -12.737 0.364) 16.315 7.261 ( -8.638 -2.344 -12.608) 15.462======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( 11.209 8.401 -0.934) 14.039 1.444 ( 8.702 16.036 -5.260) 18.988 1.918 ( 6.452 4.365 3.409) 8.503 2.277 ( 7.470 11.062 1.820) 13.472 2.591 ( 1.121 -0.530 -1.398) 1.869 3.115 ( 16.269 13.026 -3.649) 21.158 4.629 ( -5.309 -0.402 0.096) 5.325 5.149 ( 6.255 -8.110 12.687) 16.305 5.434 ( 1.032 0.636 -1.965) 2.309 5.992 ( -1.954 5.481 1.138) 5.929 6.158 ( -9.242 -9.333 1.892) 13.270 7.021 ( -10.228 -5.392 -15.185) 19.086======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 7.650 5.701 -1.048) 9.598 1.713 ( 10.553 11.639 -6.768) 17.106 2.034 ( 3.740 1.958 0.925) 4.322 2.519 ( 5.881 14.017 1.295) 15.255 2.647 ( 5.596 -0.602 4.782) 7.385 3.444 ( 12.631 7.552 -3.150) 15.050 4.539 ( -4.265 -1.728 0.254) 4.609 5.079 ( -8.884 -7.022 8.100) 13.923 5.527 ( 8.760 -0.137 -1.181) 8.840 5.953 ( -2.875 -2.617 -0.251) 3.896 6.031 ( -5.510 4.700 4.135) 8.340 6.739 ( -9.744 -7.852 -15.090) 19.603======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 3.390 4.225 -0.752) 5.469 1.958 ( 10.213 6.526 -5.871) 13.467 2.100 ( 2.659 0.852 0.479) 2.832 2.716 ( 3.816 9.680 -0.783) 10.434 2.782 ( 6.387 2.066 7.028) 9.719 3.664 ( 8.383 4.385 -0.179) 9.463 4.463 ( -2.581 -2.076 0.253) 3.322 4.828 ( -15.628 -4.124 2.003) 16.287 5.656 ( 7.524 -1.489 -0.945) 7.728 5.949 ( 1.904 2.224 -0.399) 2.954 5.999 ( -4.255 3.891 3.604) 6.800 6.472 ( -7.822 -8.314 -10.028) 15.195======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 0.306 2.830 -0.398) 2.874 2.098 ( 3.273 1.051 -2.077) 4.017 2.153 ( 3.231 0.236 -1.031) 3.400 2.829 ( 1.676 5.134 -2.409) 5.913 2.883 ( 1.549 -0.195 3.729) 4.043 3.807 ( 3.918 2.014 1.172) 4.559 4.430 ( 0.249 0.186 0.063) 0.317 4.563 ( -12.871 1.976 -0.273) 13.024 5.733 ( 3.863 -1.543 -2.434) 4.820 5.931 ( -3.343 2.003 -0.313) 3.910 6.099 ( 7.807 3.165 3.452) 9.104 6.263 ( -6.701 -6.292 -1.941) 9.395======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( -2.304 1.246 0.089) 2.621 2.108 ( -0.854 -1.244 0.155) 1.517 2.159 ( -1.523 -2.779 0.102) 3.171 2.832 ( -0.958 -4.581 -6.657) 8.137 2.846 ( -7.146 2.768 1.067) 7.737 3.796 ( -4.144 -2.459 -0.894) 4.901 4.436 ( -0.421 0.057 1.124) 1.202 4.564 ( 4.563 12.030 -0.018) 12.866 5.724 ( -0.225 -3.772 -3.958) 5.472 5.932 ( -0.064 3.803 -0.010) 3.804 6.082 ( -6.997 -4.204 -0.177) 8.165 6.323 ( 11.281 2.557 9.844) 15.189======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( -5.000 -0.881 0.740) 5.131 2.010 ( -9.062 -5.301 4.802) 11.545 2.094 ( -2.254 -1.867 -0.788) 3.031 2.698 ( -3.116 -6.927 -9.568) 12.217 2.720 ( -12.425 3.574 -0.318) 12.933 3.672 ( -6.569 -4.591 1.429) 8.141 4.467 ( 2.520 1.425 0.910) 3.035 4.800 ( 8.981 11.035 -3.667) 14.693 5.649 ( -1.963 -6.041 -2.146) 6.705 5.950 ( -3.843 -2.107 -0.240) 4.390 5.974 ( -0.978 6.081 -1.405) 6.318 6.593 ( 13.305 2.602 14.085) 19.550======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -8.357 -4.002 1.659) 9.414 1.779 ( -14.848 -4.126 6.658) 16.787 2.022 ( -4.194 -2.390 -1.650) 5.101 2.497 ( -14.296 0.461 -3.244) 14.666 2.600 ( -1.051 -2.493 -4.807) 5.516 3.480 ( -11.812 -7.444 3.988) 14.520 4.540 ( 3.213 3.133 0.417) 4.508 4.993 ( 6.875 4.356 -9.410) 12.441 5.535 ( -3.658 -6.019 0.469) 7.059 5.951 ( 4.888 1.266 -0.598) 5.085 6.000 ( -2.110 6.076 -2.284) 6.825 6.887 ( 12.836 3.029 14.841) 19.855======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( -12.749 -6.740 2.384) 14.617 1.499 ( -18.736 -0.869 5.637) 19.584 1.882 ( -8.581 -3.669 -3.638) 10.017 2.256 ( -12.813 -0.649 -2.565) 13.083 2.599 ( 2.683 0.618 0.129) 2.757 3.152 ( -19.702 -8.847 3.818) 21.932 4.629 ( 2.614 5.089 0.200) 5.725 5.026 ( 2.356 -5.570 -12.180) 13.599 5.455 ( -1.586 -1.741 2.132) 3.177 5.981 ( -4.152 4.303 -1.064) 6.073 6.142 ( 13.591 3.516 -1.430) 14.111 7.155 ( 10.498 2.961 12.022) 16.233======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -16.804 -5.934 1.627) 17.895 1.174 ( -22.146 0.355 3.383) 22.406 1.631 ( -16.265 -4.282 -4.077) 17.306 2.064 ( -8.474 -0.878 -1.576) 8.664 2.647 ( -9.262 1.331 6.621) 11.463 2.753 ( -9.563 -5.821 -2.311) 11.432 4.721 ( 1.204 7.159 0.685) 7.292 4.925 ( -0.260 -10.139 -7.879) 12.843 5.449 ( 0.557 0.259 0.199) 0.646 5.932 ( -4.721 1.871 -0.822) 5.144 6.427 ( 16.364 2.961 -0.500) 16.637 7.358 ( 7.398 1.989 7.042) 10.406======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( -19.172 0.000 0.000) 19.172 0.800 ( -23.945 0.000 0.000) 23.945 1.226 ( -28.730 0.000 0.000) 28.730 1.951 ( -4.552 0.000 0.000) 4.552 2.321 ( -17.874 0.000 0.000) 17.874 2.795 ( 4.807 -0.000 -0.000) 4.807 4.793 ( -0.927 0.000 0.000) 0.927 4.818 ( -0.614 0.000 0.000) 0.614 5.468 ( 1.437 -0.000 -0.000) 1.437 5.866 ( -3.723 0.000 0.000) 3.723 6.698 ( 13.847 -0.000 -0.000) 13.847 7.478 ( 4.430 -0.000 -0.000) 4.430======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( -0.000 21.614 4.132) 22.006 0.915 ( -0.000 19.229 9.666) 21.521 1.394 ( -0.000 22.920 7.639) 24.159 1.910 ( 0.000 4.154 -5.665) 7.025 2.452 ( 0.000 23.902 -0.928) 23.920 2.753 ( 0.000 -6.314 -2.957) 6.972 4.678 ( 0.000 -3.773 -1.854) 4.204 4.873 ( 0.000 3.064 -1.002) 3.224 5.496 ( -0.000 -2.109 4.614) 5.074 5.855 ( 0.000 2.193 -0.405) 2.230 6.615 ( 0.000 -15.497 -0.867) 15.521 7.463 ( 0.000 0.064 -5.603) 5.604======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( -0.587 17.734 6.567) 18.920 1.212 ( 5.987 19.677 1.298) 20.608 1.670 ( 6.860 13.294 7.179) 16.593 2.001 ( 7.013 7.128 -4.511) 10.969 2.643 ( -2.962 1.208 -7.941) 8.561 2.743 ( 4.935 19.334 2.029) 20.057 4.731 ( 9.924 -3.799 -1.549) 10.739 4.844 ( -4.476 -0.233 1.780) 4.823 5.484 ( -1.115 -1.106 3.203) 3.568 5.923 ( 4.792 2.632 -0.050) 5.468 6.415 ( -4.745 -16.297 -0.779) 16.992 7.369 ( -8.249 -1.259 -5.664) 10.085======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 3.165 13.613 3.326) 14.367 1.477 ( 5.307 16.675 -2.863) 17.732 1.877 ( 5.308 5.891 3.368) 8.615 2.245 ( 11.098 12.284 0.706) 16.570 2.566 ( -0.550 -2.756 -4.785) 5.549 3.056 ( 7.539 19.888 -1.190) 21.303 4.727 ( -6.687 -0.421 -0.856) 6.755 4.911 ( 13.942 -6.909 4.297) 16.143 5.458 ( -2.202 0.087 0.993) 2.417 6.025 ( 3.083 2.103 -0.134) 3.734 6.181 ( -5.004 -12.313 1.260) 13.351 7.142 ( -13.510 -3.180 -8.114) 16.077======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 5.257 9.682 1.096) 11.072 1.689 ( 5.117 12.892 -4.917) 14.716 1.995 ( 3.700 2.591 0.690) 4.569 2.552 ( 6.844 1.024 5.002) 8.539 2.577 ( 6.101 13.708 -1.302) 15.061 3.336 ( 8.677 11.660 -2.163) 14.694 4.604 ( -5.881 -2.687 0.416) 6.479 5.053 ( 7.232 -6.524 2.622) 10.086 5.436 ( 0.385 0.636 -1.231) 1.438 5.959 ( -3.049 -5.953 -1.058) 6.772 6.149 ( 0.332 3.022 5.144) 5.975 6.826 ( -15.185 -6.003 -10.385) 19.351======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 4.203 7.008 0.417) 8.183 1.871 ( 6.484 8.797 -5.094) 12.057 2.064 ( 2.739 0.853 0.100) 2.870 2.627 ( 6.381 -3.153 2.308) 7.482 2.865 ( 3.487 18.655 4.688) 19.549 3.558 ( 9.217 5.887 -0.762) 10.963 4.494 ( -3.998 -3.004 0.376) 5.015 4.996 ( -7.049 -4.104 -1.328) 8.264 5.499 ( 7.277 -1.488 -1.876) 7.660 5.920 ( 1.852 0.525 -0.085) 1.927 6.171 ( -5.364 4.859 5.906) 9.342 6.493 ( -11.015 -9.177 -9.485) 17.190======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 0.941 5.308 -0.019) 5.391 2.026 ( 5.951 4.018 -3.858) 8.152 2.106 ( 2.213 -0.380 -0.116) 2.249 2.700 ( 6.159 -5.733 0.760) 8.449 3.045 ( -3.539 15.735 3.803) 16.571 3.748 ( 7.146 3.741 1.314) 8.173 4.432 ( -0.894 -0.786 0.056) 1.192 4.800 ( -12.123 1.223 -3.261) 12.614 5.599 ( 7.851 -3.116 -2.787) 8.895 5.998 ( 3.000 3.217 -1.638) 4.694 6.085 ( -7.504 1.772 2.966) 8.262 6.283 ( -3.535 -6.841 0.026) 7.701======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -1.997 3.631 -0.084) 4.145 2.096 ( 1.310 -0.087 -1.112) 1.721 2.131 ( 1.643 -1.680 -1.163) 2.622 2.704 ( 2.898 -8.909 -3.094) 9.867 3.081 ( -8.871 12.271 1.544) 15.220 3.823 ( -0.917 -0.533 -0.039) 1.061 4.441 ( 0.403 0.112 0.690) 0.807 4.686 ( -4.584 10.567 -1.669) 11.639 5.647 ( 3.099 -5.118 -4.737) 7.632 5.973 ( -1.047 2.902 0.281) 3.098 6.140 ( -0.453 -0.376 -0.287) 0.655 6.205 ( 3.585 -2.103 8.649) 9.595======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( -4.737 1.337 0.149) 4.924 2.079 ( -2.662 -2.178 1.154) 3.628 2.102 ( -1.389 -2.532 -0.370) 2.911 2.616 ( -0.453 -8.580 -7.042) 11.108 3.003 ( -13.368 9.339 -0.448) 16.314 3.735 ( -5.805 -3.761 -0.009) 6.917 4.447 ( 1.153 0.183 1.503) 1.903 4.813 ( 3.354 13.303 -1.752) 13.831 5.594 ( 0.115 -6.893 -2.825) 7.450 6.020 ( -5.523 -0.668 0.112) 5.565 6.042 ( -0.844 5.567 -0.548) 5.658 6.405 ( 14.523 -1.209 10.787) 18.131======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( -7.617 -1.353 0.641) 7.763 1.965 ( -8.846 -2.053 4.153) 9.986 2.053 ( -2.532 -1.766 -0.994) 3.243 2.517 ( 0.067 -5.094 -7.354) 8.946 2.817 ( -17.152 5.777 -0.893) 18.121 3.585 ( -7.666 -5.202 1.814) 9.440 4.503 ( 4.040 1.358 1.317) 4.461 4.963 ( 1.988 8.264 -4.372) 9.558 5.517 ( -1.038 -6.290 -0.039) 6.375 5.919 ( -2.138 -0.912 -0.196) 2.332 6.093 ( -1.747 6.431 -2.249) 7.034 6.699 ( 16.614 -0.004 10.533) 19.671======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( -10.911 -2.259 0.946) 11.183 1.781 ( -13.874 -0.045 3.332) 14.269 1.966 ( -5.664 -1.711 -1.568) 6.121 2.457 ( -6.084 -1.040 -3.190) 6.948 2.597 ( -8.439 1.836 -0.307) 8.642 3.377 ( -13.472 -4.244 1.892) 14.251 4.607 ( 5.608 2.428 1.024) 6.196 4.972 ( -3.393 -0.230 -5.382) 6.366 5.461 ( -0.640 -2.130 1.143) 2.501 5.966 ( 8.158 0.555 -0.338) 8.184 6.087 ( -3.789 3.342 -1.450) 5.257 6.994 ( 14.747 0.808 6.233) 16.030======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( -14.634 0.000 0.000) 14.634 1.521 ( -18.469 0.000 0.000) 18.469 1.824 ( -10.216 0.000 0.000) 10.216 2.243 ( -13.695 0.000 0.000) 13.695 2.616 ( 4.885 -0.000 -0.000) 4.885 3.067 ( -21.422 0.000 0.000) 21.422 4.727 ( 5.876 -0.000 -0.000) 5.876 4.872 ( -4.479 0.000 0.000) 4.479 5.449 ( -0.268 0.000 0.000) 0.268 6.026 ( -5.083 0.000 0.000) 5.083 6.171 ( 15.184 -0.000 -0.000) 15.184 7.225 ( 11.242 -0.000 -0.000) 11.242======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( -0.000 13.844 7.582) 15.784 1.323 ( -0.000 20.206 1.055) 20.234 1.767 ( -0.000 12.543 6.509) 14.132 1.994 ( 0.000 9.354 -5.863) 11.040 2.593 ( 0.000 -6.759 -6.660) 9.489 2.969 ( -0.000 28.168 0.483) 28.172 4.597 ( 0.000 -3.287 -1.488) 3.608 4.892 ( -0.000 -1.375 0.704) 1.545 5.497 ( -0.000 0.073 2.131) 2.133 5.893 ( 0.000 1.918 -0.280) 1.938 6.285 ( 0.000 -17.192 -1.614) 17.267 7.413 ( 0.000 -2.556 -2.574) 3.627======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -1.961 12.060 4.572) 13.046 1.551 ( 3.755 16.134 -1.648) 16.647 1.896 ( 1.196 7.710 3.515) 8.558 2.177 ( 10.266 13.131 -1.404) 16.727 2.508 ( 0.291 -5.670 -6.060) 8.304 3.222 ( -0.443 24.036 0.006) 24.040 4.654 ( 10.107 -3.132 -0.751) 10.608 4.820 ( -5.575 -3.618 1.648) 6.847 5.496 ( -1.358 0.918 0.678) 1.774 5.959 ( 5.086 1.031 -0.381) 5.203 6.106 ( -1.757 -14.009 -1.032) 14.156 7.296 ( -9.370 -3.610 -2.779) 10.419======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 0.865 9.555 2.452) 9.902 1.734 ( 2.894 12.712 -4.239) 13.709 1.980 ( 1.651 3.944 0.668) 4.328 2.460 ( 4.263 -1.992 1.567) 4.960 2.546 ( 13.297 13.805 -0.910) 19.189 3.403 ( -0.580 16.248 -0.481) 16.265 4.679 ( -6.604 -4.900 2.308) 8.541 4.817 ( 12.508 -3.688 -2.886) 13.356 5.472 ( -2.613 0.977 -0.498) 2.834 5.935 ( -1.746 -6.114 -1.459) 6.524 6.100 ( 6.713 -0.961 2.225) 7.137 7.031 ( -16.253 -4.540 -3.964) 17.334======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( 3.043 8.023 1.819) 8.771 1.868 ( 2.905 8.963 -4.582) 10.477 2.035 ( 1.825 1.577 -0.114) 2.415 2.506 ( 5.034 -3.331 1.961) 6.346 2.942 ( 12.429 17.760 4.994) 22.245 3.525 ( 1.569 9.249 -0.623) 9.401 4.540 ( -5.265 -4.080 1.181) 6.765 4.925 ( 6.862 -5.834 -6.757) 11.260 5.441 ( -0.995 0.372 -0.353) 1.120 5.902 ( 1.159 1.040 -0.453) 1.622 6.199 ( 4.864 -1.236 3.375) 6.048 6.670 ( -19.369 -5.153 -4.191) 20.476======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 1.946 6.834 1.263) 7.217 1.978 ( 3.815 5.059 -3.213) 7.105 2.071 ( 1.617 0.064 -0.197) 1.630 2.560 ( 4.913 -4.771 1.631) 7.040 3.260 ( 1.188 17.886 6.639) 19.116 3.661 ( 7.423 4.965 0.295) 8.936 4.448 ( -2.416 -1.534 0.178) 2.867 4.891 ( -1.212 -3.688 -9.118) 9.910 5.457 ( 3.700 -1.940 -0.362) 4.194 5.969 ( 3.174 4.378 -1.161) 5.531 6.245 ( 1.538 -4.722 2.388) 5.511 6.308 ( -16.773 -1.928 0.042) 16.883======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -1.318 5.495 0.502) 5.673 2.058 ( 3.028 0.978 -1.925) 3.719 2.088 ( 1.144 -1.017 -0.268) 1.554 2.574 ( 2.921 -6.518 -0.506) 7.160 3.359 ( -8.031 13.761 3.868) 16.396 3.811 ( 3.578 1.872 0.900) 4.137 4.438 ( 0.505 0.804 0.459) 1.054 4.819 ( -2.116 3.957 -6.915) 8.243 5.505 ( 5.459 -4.858 -1.929) 7.558 6.011 ( -2.211 -1.087 -1.634) 2.956 6.114 ( 0.263 1.473 1.514) 2.129 6.237 ( -3.395 -1.387 5.336) 6.475======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -4.544 3.091 0.157) 5.497 2.079 ( 0.723 -1.933 -0.725) 2.188 2.087 ( 0.077 -0.969 -0.339) 1.030 2.531 ( 0.089 -6.096 -2.884) 6.745 3.313 ( -12.211 10.301 1.057) 16.011 3.791 ( -4.551 -2.502 -0.476) 5.216 4.442 ( -0.161 -0.323 0.675) 0.765 4.888 ( 2.317 10.621 -2.449) 11.143 5.500 ( 1.933 -6.938 -2.214) 7.535 6.049 ( 5.196 4.471 -0.094) 6.855 6.133 ( -5.653 0.155 0.088) 5.656 6.213 ( 6.461 -3.343 6.971) 10.075======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -7.058 0.309 0.063) 7.065 2.053 ( -2.189 -0.881 1.315) 2.701 2.066 ( -1.456 -1.013 -0.728) 1.917 2.462 ( -0.954 -3.301 -3.287) 4.755 3.153 ( -16.535 5.366 -0.406) 17.388 3.663 ( -6.506 -3.019 0.297) 7.178 4.458 ( 2.290 0.146 0.692) 2.397 5.010 ( 1.475 7.269 -1.403) 7.549 5.456 ( 1.033 -5.090 -0.492) 5.217 5.999 ( -7.624 -0.704 0.424) 7.668 6.155 ( -0.049 4.852 -1.963) 5.234 6.420 ( 18.249 -2.336 5.755) 19.277======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( -8.814 0.000 0.000) 8.814 1.971 ( -8.248 0.000 0.000) 8.248 2.025 ( -2.823 0.000 0.000) 2.823 2.440 ( 1.174 -0.000 -0.000) 1.174 2.879 ( -18.807 0.000 0.000) 18.807 3.532 ( -8.047 0.000 0.000) 8.047 4.523 ( 5.057 -0.000 -0.000) 5.057 5.034 ( -2.638 0.000 0.000) 2.638 5.447 ( 0.765 -0.000 -0.000) 0.765 5.910 ( -1.567 0.000 0.000) 1.567 6.153 ( -2.266 0.000 0.000) 2.266 6.732 ( 18.256 -0.000 -0.000) 18.256======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -0.000 6.117 2.589) 6.643 1.669 ( 0.000 16.226 -3.222) 16.543 1.985 ( -0.000 6.777 3.948) 7.843 2.201 ( 0.000 14.545 -2.722) 14.798 2.429 ( 0.000 -5.396 -4.990) 7.350 3.455 ( 0.000 20.996 -0.044) 20.996 4.544 ( 0.000 -1.496 -0.088) 1.499 4.830 ( -0.000 -5.928 2.516) 6.440 5.520 ( 0.000 1.414 -0.607) 1.539 5.920 ( 0.000 1.015 -0.231) 1.041 5.989 ( 0.000 -11.090 -1.909) 11.253 7.329 ( 0.000 -5.101 -1.210) 5.243======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 0.555 4.950 0.859) 5.055 1.803 ( 1.141 11.878 -5.538) 13.155 2.022 ( -1.310 3.610 0.045) 3.840 2.394 ( 1.628 -1.878 0.521) 2.540 2.446 ( 12.149 13.759 -0.883) 18.376 3.597 ( -3.035 14.519 0.207) 14.835 4.604 ( 7.564 -2.117 0.136) 7.856 4.734 ( -4.479 -6.002 1.405) 7.620 5.515 ( -1.595 0.966 -1.651) 2.491 5.900 ( -0.483 -3.479 -1.159) 3.698 5.980 ( 5.816 -0.686 0.266) 5.862 7.192 ( -9.383 -5.963 -1.289) 11.192======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 3.003 5.121 0.862) 5.999 1.895 ( 1.596 7.061 -5.900) 9.339 2.037 ( 0.243 1.845 -0.456) 1.916 2.427 ( 2.614 -0.401 2.602) 3.710 2.833 ( 17.964 13.155 2.579) 22.415 3.654 ( -3.656 9.846 0.949) 10.545 4.588 ( -4.920 -5.790 2.475) 7.991 4.716 ( 7.763 -3.757 -6.060) 10.541 5.480 ( -2.505 0.446 -1.367) 2.888 5.902 ( 0.955 3.293 -0.486) 3.463 6.081 ( 6.964 -2.102 1.168) 7.368 6.915 ( -16.149 -5.860 -1.274) 17.227======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 4.159 5.306 1.417) 6.889 1.963 ( 2.334 3.735 -3.546) 5.654 2.057 ( 0.667 0.896 -0.273) 1.150 2.471 ( 2.437 -1.558 2.234) 3.655 3.276 ( 17.625 12.742 6.140) 22.599 3.683 ( -2.706 7.072 0.801) 7.615 4.480 ( -3.375 -2.273 0.270) 4.079 4.750 ( 5.392 -6.404 -9.407) 12.593 5.443 ( -1.713 -0.043 0.029) 1.714 5.973 ( 1.909 5.849 -1.190) 6.266 6.157 ( 4.424 -3.937 1.490) 6.106 6.574 ( -17.744 -3.952 0.383) 18.183======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 1.933 5.414 0.972) 5.831 2.013 ( 2.033 0.273 -1.220) 2.386 2.072 ( 0.584 0.138 -0.244) 0.648 2.487 ( 1.747 -3.137 0.629) 3.645 3.593 ( -0.857 11.279 7.099) 13.355 3.744 ( 6.435 3.398 -0.152) 7.279 4.447 ( -0.379 1.357 0.481) 1.489 4.743 ( 5.850 -4.670 -10.318) 12.747 5.425 ( 0.115 -1.393 0.570) 1.510 6.031 ( -1.089 1.793 -2.620) 3.357 6.137 ( -1.439 -2.898 1.344) 3.503 6.333 ( -8.253 -0.136 3.417) 8.934======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( -3.507 4.114 0.459) 5.425 2.030 ( 2.254 -2.315 -0.535) 3.275 2.079 ( 0.353 -0.139 -0.149) 0.408 2.478 ( 0.630 -2.619 -0.561) 2.751 3.583 ( -9.289 6.488 2.167) 11.536 3.826 ( -0.948 -0.333 -0.085) 1.008 4.452 ( -1.041 0.242 0.401) 1.141 4.849 ( 10.206 2.595 -4.239) 11.352 5.416 ( 0.866 -2.916 -0.056) 3.042 5.981 ( 1.216 -0.956 0.199) 1.559 6.153 ( 1.377 1.387 0.084) 1.956 6.246 ( -5.321 -0.607 2.366) 5.855======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( -6.484 0.000 0.000) 6.484 2.049 ( 1.153 -0.000 -0.000) 1.153 2.079 ( -0.249 0.000 0.000) 0.249 2.461 ( -0.881 0.000 0.000) 0.881 3.433 ( -13.431 0.000 0.000) 13.431 3.751 ( -5.870 0.000 0.000) 5.870 4.441 ( 0.038 -0.000 -0.000) 0.038 4.999 ( 5.039 -0.000 -0.000) 5.039 5.409 ( 0.985 -0.000 -0.000) 0.985 6.101 ( 5.472 -0.000 -0.000) 5.472 6.156 ( 1.361 -0.000 -0.000) 1.361 6.176 ( 0.584 -0.000 -0.000) 0.584======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 0.000 2.493 -0.525) 2.547 1.869 ( 0.000 7.730 -8.799) 11.712 2.048 ( 0.000 -0.026 -2.192) 2.193 2.391 ( -0.000 2.365 3.983) 4.632 2.462 ( 0.000 12.835 -0.768) 12.858 3.735 ( -0.000 8.429 0.209) 8.431 4.540 ( -0.000 0.475 1.366) 1.446 4.713 ( -0.000 -7.507 2.092) 7.793 5.528 ( 0.000 0.392 -2.572) 2.601 5.890 ( 0.000 1.830 -0.521) 1.903 5.928 ( 0.000 0.053 -0.310) 0.314 7.203 ( 0.000 -7.290 -0.728) 7.326======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 2.587 2.258 -0.483) 3.468 1.892 ( 1.453 2.252 -9.416) 9.790 2.045 ( 0.102 0.989 -0.444) 1.089 2.437 ( -0.054 3.675 3.987) 5.422 2.682 ( 12.727 9.961 0.462) 16.169 3.777 ( -1.757 4.604 1.041) 5.037 4.573 ( 1.677 -1.608 1.102) 2.572 4.627 ( -1.746 -4.916 -0.399) 5.232 5.510 ( -1.376 0.085 -2.162) 2.564 5.933 ( 0.557 5.609 -0.456) 5.655 5.969 ( 4.613 -0.142 0.396) 4.633 7.056 ( -8.653 -7.299 -0.633) 11.338======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 5.269 2.551 0.564) 5.881 1.924 ( 3.667 0.718 -5.203) 6.406 2.058 ( 0.210 0.837 -0.082) 0.867 2.471 ( -0.687 2.032 2.593) 3.365 3.053 ( 20.685 7.738 2.212) 22.196 3.788 ( -1.937 3.343 1.504) 4.146 4.514 ( -3.125 -2.150 0.041) 3.793 4.613 ( 2.138 -3.404 -3.710) 5.470 5.476 ( -2.007 0.033 -0.879) 2.191 6.000 ( 1.735 4.527 -1.254) 5.007 6.056 ( 4.587 0.257 1.300) 4.775 6.797 ( -14.287 -5.548 -0.060) 15.326======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 5.806 2.026 0.583) 6.177 1.981 ( 3.116 0.511 -1.425) 3.464 2.065 ( 0.162 0.075 -0.098) 0.203 2.470 ( -1.002 -0.046 0.970) 1.395 3.482 ( 20.889 4.966 3.145) 21.700 3.784 ( -2.599 2.383 0.902) 3.639 4.479 ( -0.830 2.367 0.747) 2.617 4.582 ( 1.902 -5.646 -5.737) 8.271 5.441 ( -1.926 -0.115 0.062) 1.931 6.054 ( 0.761 1.946 -1.474) 2.558 6.113 ( 1.828 -0.373 1.038) 2.135 6.518 ( -13.830 -2.142 0.881) 14.022======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 4.918 -0.000 -0.000) 4.918 1.997 ( -1.475 0.000 0.000) 1.475 2.070 ( 0.586 -0.000 -0.000) 0.586 2.459 ( 0.004 -0.000 -0.000) 0.004 3.737 ( -5.183 0.000 0.000) 5.183 3.774 ( 9.204 -0.000 -0.000) 9.204 4.485 ( -2.199 0.000 0.000) 2.199 4.635 ( 11.804 -0.000 -0.000) 11.804 5.413 ( -1.300 0.000 0.000) 1.300 6.020 ( -4.685 0.000 0.000) 4.685 6.137 ( 1.406 -0.000 -0.000) 1.406 6.341 ( -6.944 0.000 0.000) 6.944======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( 0.000 1.028 -0.884) 1.356 1.846 ( 0.000 -1.075 -9.203) 9.265 2.055 ( -0.000 1.167 0.080) 1.170 2.492 ( -0.000 3.695 3.505) 5.092 2.651 ( 0.000 6.983 -0.326) 6.991 3.816 ( -0.000 1.010 0.981) 1.408 4.568 ( -0.000 1.122 1.476) 1.854 4.594 ( -0.000 -5.124 0.194) 5.127 5.514 ( 0.000 -0.055 -1.813) 1.814 5.922 ( 0.000 -0.346 -0.291) 0.452 6.001 ( -0.000 7.551 0.218) 7.554 7.056 ( 0.000 -6.973 -0.510) 6.992======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 3.929 0.815 -0.094) 4.013 1.840 ( 3.380 -0.833 -4.434) 5.638 2.064 ( 0.002 0.577 0.051) 0.579 2.519 ( -1.149 1.993 1.593) 2.798 2.815 ( 13.469 3.580 0.210) 13.938 3.821 ( -0.237 0.319 0.767) 0.864 4.538 ( -1.861 -1.777 -0.229) 2.583 4.580 ( -0.242 -0.340 0.212) 0.468 5.499 ( -1.121 -0.035 -0.810) 1.383 5.948 ( 3.372 -0.394 -0.194) 3.400 6.068 ( 0.461 4.856 0.202) 4.882 6.933 ( -7.828 -4.192 -0.232) 8.883======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 6.049 -0.000 -0.000) 6.049 1.905 ( 5.167 -0.000 -0.000) 5.167 2.066 ( -0.069 0.000 0.000) 0.069 2.503 ( -2.005 0.000 0.000) 2.005 3.138 ( 22.115 -0.000 -0.000) 22.115 3.818 ( -0.650 0.000 0.000) 0.650 4.505 ( -1.072 0.000 0.000) 1.072 4.557 ( -1.760 0.000 0.000) 1.760 5.473 ( -1.832 0.000 0.000) 1.832 6.011 ( 4.087 -0.000 -0.000) 4.087 6.101 ( 0.689 -0.000 -0.000) 0.689 6.735 ( -13.090 0.000 0.000) 13.090======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( -0.000 0.000 0.000) 0.000 1.797 ( -0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 -0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.717 ( -0.000 0.000 0.000) 0.000 3.824 ( -0.000 0.000 0.000) 0.000 4.542 ( -0.000 0.000 0.000) 0.000 4.586 ( -0.000 0.000 0.000) 0.000 5.507 ( -0.000 0.000 0.000) 0.000 5.917 ( -0.000 0.000 0.000) 0.000 6.091 ( -0.000 0.000 0.000) 0.000 6.977 ( -0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.217 ( -0.000 0.000 22.194) 22.194 0.217 ( -0.000 0.000 22.194) 22.194 0.354 ( -0.000 0.000 36.223) 36.223 1.873 ( 0.000 -0.000 -2.232) 2.232 1.873 ( 0.000 -0.000 -2.232) 2.232 3.095 ( 0.000 -0.000 -3.849) 3.849 4.779 ( 0.000 -0.000 -0.355) 0.355 4.779 ( 0.000 -0.000 -0.355) 0.355 5.809 ( -0.000 0.000 0.378) 0.378 5.809 ( -0.000 0.000 0.378) 0.378 6.849 ( -0.000 0.000 0.272) 0.272 6.944 ( 0.000 -0.000 -0.308) 0.308======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( 13.291 7.673 10.575) 18.637 0.465 ( 14.588 8.423 9.797) 19.487 0.933 ( 28.004 16.168 19.215) 37.614 1.908 ( 2.894 1.671 -1.158) 3.537 2.039 ( 10.120 5.843 -9.691) 15.181 2.871 ( -7.270 -4.198 0.921) 8.446 4.766 ( -1.510 -0.872 0.260) 1.763 4.861 ( 6.550 3.782 0.834) 7.609 5.589 ( -4.861 -2.806 12.720) 13.903 5.834 ( 1.700 0.981 0.970) 2.189 6.856 ( -7.512 -4.337 -0.478) 8.688 7.297 ( 6.918 3.994 -24.298) 25.578======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.794 ( 15.513 8.956 1.286) 17.959 0.823 ( 15.261 8.811 3.976) 18.064 1.518 ( 18.919 10.923 12.447) 25.143 1.994 ( 5.189 2.996 -0.146) 5.993 2.295 ( 16.225 9.367 -9.892) 21.186 2.760 ( -2.120 -1.224 -2.436) 3.453 4.718 ( -2.859 -1.651 0.445) 3.331 5.046 ( 9.052 5.226 4.245) 11.281 5.538 ( -4.231 -2.442 10.908) 11.952 5.880 ( 1.925 1.112 1.064) 2.464 6.628 ( -12.537 -7.238 0.031) 14.476 7.237 ( -3.751 -2.166 -18.791) 19.284======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 15.908 9.184 -4.328) 18.871 1.144 ( 12.911 7.454 0.974) 14.940 1.842 ( 8.923 5.152 5.739) 11.794 2.137 ( 7.772 4.487 0.552) 8.991 2.551 ( 5.871 3.389 -5.689) 8.850 2.881 ( 15.924 9.194 -2.798) 18.599 4.648 ( -3.469 -2.003 0.409) 4.026 5.264 ( 8.081 4.666 9.043) 12.994 5.457 ( -5.742 -3.315 7.100) 9.714 5.917 ( 1.069 0.617 0.613) 1.378 6.335 ( -13.481 -7.783 0.721) 15.583 7.048 ( -7.480 -4.318 -18.792) 20.682======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 9.205 5.315 -0.569) 10.644 1.468 ( 16.051 9.267 -7.164) 19.870 1.994 ( 4.625 2.670 1.386) 5.517 2.334 ( 9.638 5.564 0.584) 11.144 2.638 ( 4.395 2.537 1.976) 5.446 3.263 ( 16.912 9.764 -3.815) 19.897 4.572 ( -3.498 -2.020 0.534) 4.075 5.266 ( -11.531 -6.657 12.943) 18.569 5.496 ( 7.973 4.603 -0.064) 9.207 5.929 ( -0.058 -0.034 -0.034) 0.075 6.079 ( -9.169 -5.294 1.359) 10.674 6.805 ( -8.888 -5.132 -17.051) 19.901======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 5.690 3.285 -1.007) 6.647 1.785 ( 14.510 8.377 -7.469) 18.344 2.077 ( 2.966 1.712 0.419) 3.450 2.546 ( 9.029 5.213 0.059) 10.426 2.765 ( 5.903 3.408 4.149) 7.979 3.561 ( 10.985 6.342 -1.263) 12.747 4.502 ( -3.013 -1.740 0.997) 3.619 4.982 ( -16.370 -9.451 5.290) 19.628 5.649 ( 5.623 3.247 -0.983) 6.567 5.919 ( -0.672 -0.388 -0.404) 0.875 5.971 ( -0.922 -0.532 2.452) 2.673 6.564 ( -8.578 -4.953 -10.849) 14.691======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( 2.838 1.638 -0.861) 3.388 2.028 ( 8.752 5.053 -5.747) 11.626 2.133 ( 2.283 1.318 -0.190) 2.644 2.710 ( 5.519 3.186 -0.440) 6.388 2.897 ( 4.382 2.530 1.106) 5.179 3.754 ( 6.705 3.871 1.636) 7.913 4.451 ( -1.947 -1.124 1.548) 2.729 4.626 ( -14.995 -8.657 0.092) 17.315 5.729 ( 2.447 1.413 -4.404) 5.232 5.903 ( -0.480 -0.277 -0.265) 0.615 6.046 ( 6.213 3.587 3.965) 8.197 6.363 ( -7.810 -4.509 -1.918) 9.220======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 0.324 0.187 -0.429) 0.570 2.114 ( 0.901 0.520 -1.379) 1.727 2.178 ( 1.199 0.692 -1.990) 2.425 2.772 ( 0.039 0.023 -0.643) 0.645 2.922 ( -2.154 -1.244 -4.877) 5.475 3.828 ( -1.421 -0.820 -0.390) 1.686 4.430 ( -0.331 -0.191 1.698) 1.740 4.445 ( 0.796 0.460 1.070) 1.411 5.737 ( 0.159 0.092 -6.208) 6.211 5.900 ( 0.193 0.111 0.191) 0.293 6.153 ( -4.440 -2.564 -1.705) 5.403 6.291 ( 6.656 3.843 12.566) 14.730======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( -2.199 -1.269 0.264) 2.552 2.094 ( -2.857 -1.649 0.461) 3.331 2.138 ( -4.415 -2.549 0.679) 5.143 2.706 ( -5.688 -3.284 -0.868) 6.624 2.783 ( -6.918 -3.994 -10.012) 12.808 3.743 ( -4.705 -2.717 0.571) 5.463 4.447 ( 1.383 0.798 1.218) 2.008 4.613 ( 11.392 6.577 -1.067) 13.197 5.703 ( -1.582 -0.913 -5.296) 5.602 5.911 ( 0.667 0.385 0.509) 0.923 6.006 ( -6.422 -3.707 0.019) 7.415 6.556 ( 11.262 6.502 14.916) 19.789======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -5.178 -2.989 1.324) 6.124 1.924 ( -12.717 -7.342 6.213) 15.945 2.059 ( -3.384 -1.954 -1.194) 4.086 2.529 ( -9.589 -5.536 -1.617) 11.190 2.624 ( -3.563 -2.057 -9.722) 10.556 3.617 ( -8.480 -4.896 4.026) 10.587 4.495 ( 2.603 1.503 0.290) 3.020 4.853 ( 10.553 6.093 -7.229) 14.169 5.622 ( -4.630 -2.673 -2.527) 5.914 5.927 ( 0.433 0.250 0.355) 0.613 5.929 ( 0.835 0.482 -1.438) 1.731 6.855 ( 10.976 6.337 16.034) 20.438======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -9.282 -5.359 2.762) 11.068 1.618 ( -16.574 -9.569 7.174) 20.438 1.946 ( -6.713 -3.876 -2.676) 8.201 2.298 ( -10.046 -5.800 -2.911) 11.960 2.581 ( 1.554 0.897 -3.893) 4.287 3.358 ( -16.801 -9.700 5.324) 20.118 4.559 ( 3.209 1.853 -0.754) 3.781 4.998 ( 5.196 3.000 -12.530) 13.893 5.512 ( -4.341 -2.506 0.983) 5.108 5.927 ( -0.476 -0.275 -0.193) 0.583 6.045 ( 9.726 5.616 -1.849) 11.382 7.129 ( 9.165 5.291 14.211) 17.718======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( -14.147 -8.168 4.158) 16.857 1.254 ( -18.319 -10.576 6.209) 22.045 1.733 ( -12.118 -6.996 -3.389) 14.397 2.092 ( -7.305 -4.217 -3.918) 9.300 2.641 ( 3.044 1.757 1.851) 3.972 2.934 ( -21.306 -12.301 2.672) 24.747 4.628 ( 3.387 1.955 -1.526) 4.198 5.001 ( -0.976 -0.563 -11.675) 11.730 5.457 ( -1.149 -0.663 2.131) 2.510 5.903 ( -1.521 -0.878 -0.714) 1.896 6.314 ( 14.260 8.233 -1.298) 16.517 7.342 ( 6.511 3.759 10.016) 12.523======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( -17.518 -10.114 5.665) 21.007 0.859 ( -19.110 -11.033 5.254) 22.683 1.361 ( -21.734 -12.548 -1.201) 25.125 1.956 ( -3.973 -2.294 -3.913) 6.030 2.438 ( -18.593 -10.735 3.663) 21.780 2.773 ( 4.074 2.352 -1.076) 4.825 4.696 ( 3.143 1.815 -1.686) 4.002 4.908 ( -4.092 -2.363 -6.072) 7.694 5.464 ( 0.966 0.558 1.680) 2.017 5.861 ( -1.969 -1.137 -0.797) 2.409 6.622 ( 13.183 7.611 -0.611) 15.235 7.475 ( 3.461 1.998 3.419) 5.259======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( -0.000 18.541 9.828) 20.984 0.594 ( -0.000 17.441 15.596) 23.397 0.936 ( -0.000 26.978 21.279) 34.360 1.846 ( 0.000 0.821 -5.262) 5.326 2.069 ( 0.000 15.629 -6.418) 16.895 2.882 ( 0.000 -9.012 -0.589) 9.031 4.739 ( 0.000 -2.938 -1.321) 3.221 4.815 ( -0.000 2.623 1.088) 2.840 5.604 ( -0.000 -7.748 11.220) 13.635 5.819 ( -0.000 1.253 0.100) 1.257 6.852 ( 0.000 -8.972 -0.751) 9.003 7.302 ( 0.000 15.999 -20.433) 25.952======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( 3.270 15.856 9.719) 18.883 0.834 ( 4.800 20.091 6.418) 21.630 1.401 ( 15.468 18.048 14.993) 28.103 1.902 ( 6.625 1.779 -4.933) 8.450 2.248 ( 4.055 19.743 -6.585) 21.204 2.765 ( -2.821 -5.203 -3.574) 6.914 4.760 ( 0.231 -0.326 -1.961) 2.001 4.876 ( 8.618 -1.418 3.146) 9.283 5.568 ( -0.962 -5.727 9.581) 11.204 5.872 ( 3.297 2.486 0.648) 4.180 6.692 ( -6.296 -12.162 -0.568) 13.707 7.291 ( -6.893 6.190 -15.868) 18.375======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 7.343 12.639 4.414) 15.269 1.133 ( 7.019 18.028 0.764) 19.361 1.768 ( 9.375 7.457 7.382) 14.071 2.063 ( 9.091 6.346 -1.228) 11.154 2.490 ( 4.756 12.059 -8.524) 15.515 2.759 ( 7.546 6.129 -1.546) 9.844 4.712 ( -4.638 0.570 -0.752) 4.733 5.068 ( 15.026 -4.926 4.679) 16.491 5.512 ( -2.923 -5.530 7.730) 9.943 5.955 ( 1.504 4.757 1.716) 5.276 6.434 ( -9.602 -12.562 0.256) 15.814 7.120 ( -11.063 1.119 -16.014) 19.495======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 9.633 9.088 0.373) 13.248 1.402 ( 7.019 15.178 -3.072) 17.002 1.943 ( 5.321 3.156 1.528) 6.373 2.290 ( 7.471 11.862 0.616) 14.033 2.576 ( 4.541 0.963 -1.426) 4.856 3.082 ( 15.475 13.281 -3.016) 20.614 4.629 ( -4.907 -0.578 -0.097) 4.942 5.260 ( 11.134 -10.474 9.013) 17.746 5.424 ( -3.167 -1.172 0.779) 3.466 6.002 ( -2.492 4.189 0.918) 4.960 6.180 ( -8.630 -7.009 2.835) 11.473 6.866 ( -11.577 -2.964 -16.147) 20.088======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 7.296 6.088 -0.257) 9.506 1.650 ( 9.603 12.093 -5.980) 16.560 2.039 ( 3.627 1.732 0.101) 4.020 2.522 ( 5.470 13.386 -0.558) 14.471 2.689 ( 7.033 1.379 3.648) 8.042 3.420 ( 13.296 8.343 -1.705) 15.789 4.544 ( -4.031 -1.808 0.655) 4.466 5.147 ( -10.553 -10.784 5.641) 16.108 5.510 ( 9.637 -0.796 -2.421) 9.968 5.947 ( -2.276 -2.104 -0.844) 3.213 6.076 ( -7.177 5.808 4.737) 10.377 6.605 ( -8.410 -6.194 -11.477) 15.518======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 3.201 4.519 -0.583) 5.568 1.898 ( 10.448 7.588 -6.369) 14.398 2.103 ( 2.628 0.744 -0.066) 2.733 2.703 ( 4.117 8.388 -1.753) 9.507 2.833 ( 4.787 3.948 3.531) 7.139 3.669 ( 9.423 5.030 1.203) 10.749 4.471 ( -2.476 -2.524 1.331) 3.778 4.837 ( -16.499 -6.308 -0.242) 17.666 5.630 ( 7.239 -1.624 -4.348) 8.600 5.943 ( 0.537 2.141 -0.630) 2.295 6.034 ( -3.453 4.102 2.792) 6.045 6.413 ( -5.151 -6.412 -1.261) 8.321======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 0.386 3.080 -0.615) 3.164 2.067 ( 5.530 2.574 -4.343) 7.488 2.141 ( 2.087 -0.068 -1.329) 2.475 2.799 ( 2.147 1.848 -3.771) 4.716 2.905 ( -1.768 3.126 0.784) 3.676 3.818 ( 2.986 1.383 1.073) 3.461 4.437 ( 0.280 -0.339 1.183) 1.262 4.560 ( -11.578 1.661 -0.402) 11.703 5.685 ( 3.218 -1.395 -6.655) 7.523 5.928 ( -2.564 2.122 -0.232) 3.336 6.126 ( 6.049 2.012 1.023) 6.456 6.299 ( -2.660 -4.039 9.411) 10.581======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( -2.023 1.460 -0.241) 2.506 2.104 ( -0.072 -0.629 -1.040) 1.217 2.152 ( -0.069 -1.949 -1.686) 2.578 2.757 ( -2.155 -7.108 -8.648) 11.400 2.851 ( -8.732 5.119 -0.069) 10.122 3.790 ( -3.914 -2.227 -0.337) 4.515 4.452 ( -0.235 0.052 2.114) 2.128 4.563 ( 3.994 10.743 -0.148) 11.463 5.671 ( 0.578 -2.723 -6.094) 6.700 5.933 ( -0.310 3.377 0.264) 3.402 6.084 ( -6.708 -3.452 0.320) 7.551 6.444 ( 12.429 1.739 14.260) 18.996======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.636 ( -4.508 -0.707 0.570) 4.599 2.048 ( -6.393 -4.058 2.462) 7.962 2.088 ( -2.872 -2.365 -0.243) 3.728 2.597 ( -3.290 -6.213 -10.895) 12.967 2.714 ( -12.775 3.656 -0.884) 13.317 3.691 ( -5.095 -4.302 2.285) 7.049 4.481 ( 1.887 1.558 1.921) 3.111 4.759 ( 6.729 9.846 -4.517) 12.752 5.621 ( -0.943 -4.357 -3.312) 5.554 5.946 ( -4.322 -2.003 -0.311) 4.773 5.968 ( -1.322 4.805 -0.242) 4.990 6.735 ( 14.319 1.644 14.520) 20.459======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( -7.651 -3.915 2.015) 8.828 1.838 ( -14.103 -4.837 4.972) 15.717 2.005 ( -4.868 -2.645 -1.485) 5.735 2.459 ( -10.591 -1.083 -4.285) 11.476 2.554 ( -2.948 1.138 -4.515) 5.510 3.520 ( -10.891 -8.041 4.135) 14.155 4.548 ( 2.442 3.670 1.309) 4.598 4.901 ( 4.252 4.139 -9.333) 11.060 5.537 ( -2.641 -4.504 0.015) 5.221 5.941 ( 5.307 1.474 -1.326) 5.666 5.985 ( -2.639 5.244 -0.831) 5.929 7.020 ( 13.078 0.891 12.294) 17.971======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( -12.131 -7.524 3.716) 14.751 1.545 ( -18.484 -2.551 3.497) 18.984 1.856 ( -9.268 -3.339 -1.175) 9.921 2.228 ( -13.074 0.068 -3.052) 13.425 2.591 ( 4.631 1.920 -2.012) 5.402 3.187 ( -19.968 -10.293 3.264) 22.701 4.635 ( 1.673 6.466 1.049) 6.761 4.918 ( 1.791 -3.284 -9.791) 10.482 5.474 ( -1.407 -2.065 1.701) 3.023 5.971 ( -4.124 4.121 -0.878) 5.896 6.129 ( 13.771 3.991 -1.270) 14.394 7.251 ( 10.354 -0.404 7.486) 12.784======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( -16.299 -8.116 4.618) 18.784 1.200 ( -21.662 -2.316 1.743) 21.856 1.621 ( -16.484 -2.428 2.185) 16.804 2.040 ( -8.736 0.957 -3.329) 9.398 2.692 ( 3.811 2.374 0.576) 4.527 2.726 ( -22.223 -9.155 -1.260) 24.068 4.731 ( -0.021 9.793 1.090) 9.854 4.861 ( 0.888 -7.081 -4.807) 8.605 5.459 ( 0.397 -0.492 1.873) 1.977 5.925 ( -4.699 2.346 -0.488) 5.275 6.422 ( 16.479 3.490 -0.643) 16.857 7.395 ( 6.990 -2.434 0.450) 7.415======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( -0.000 19.695 4.929) 20.303 1.023 ( -0.000 17.296 12.336) 21.245 1.499 ( -0.000 19.014 13.297) 23.202 1.847 ( 0.000 4.001 -7.185) 8.224 2.420 ( 0.000 24.780 -5.476) 25.378 2.716 ( 0.000 -6.291 -4.542) 7.759 4.661 ( 0.000 -3.864 -1.649) 4.201 4.883 ( -0.000 2.687 2.423) 3.618 5.553 ( -0.000 -4.571 7.150) 8.486 5.853 ( -0.000 2.061 0.061) 2.061 6.605 ( 0.000 -15.722 -1.119) 15.761 7.377 ( 0.000 4.763 -11.429) 12.382======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -0.764 16.709 6.053) 17.788 1.239 ( 2.737 17.436 4.738) 18.275 1.747 ( 5.376 9.998 7.655) 13.692 1.958 ( 9.460 8.406 -3.825) 13.220 2.552 ( -2.192 3.778 -10.573) 11.439 2.754 ( 4.015 18.111 0.264) 18.553 4.706 ( 7.668 -2.924 -3.033) 8.749 4.885 ( -0.769 -1.383 5.668) 5.885 5.523 ( -1.388 -3.548 4.886) 6.196 5.925 ( 5.252 2.322 0.581) 5.772 6.407 ( -4.152 -16.489 -0.899) 17.027 7.290 ( -9.941 2.391 -10.294) 14.509======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( 1.496 13.128 3.837) 13.758 1.457 ( 3.770 15.245 -1.013) 15.737 1.900 ( 4.265 4.572 1.278) 6.382 2.257 ( 12.484 13.512 1.586) 18.464 2.514 ( 1.681 -1.215 -5.413) 5.797 3.041 ( 6.623 19.997 -1.776) 21.140 4.712 ( -4.507 0.087 -2.012) 4.937 4.960 ( 12.968 -8.953 5.571) 16.714 5.471 ( -3.021 -1.689 1.782) 3.893 6.022 ( 2.145 -0.193 -0.468) 2.204 6.200 ( -2.215 -10.602 2.760) 11.177 7.049 ( -15.934 0.199 -10.950) 19.334======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 4.239 10.006 1.921) 11.036 1.646 ( 4.304 12.462 -3.905) 13.750 1.997 ( 3.469 2.343 -0.127) 4.188 2.539 ( 4.969 4.175 -3.796) 7.519 2.621 ( 10.014 12.740 6.465) 17.447 3.315 ( 8.633 12.269 -1.955) 15.129 4.608 ( -5.726 -2.073 0.437) 6.106 5.069 ( 7.667 -11.351 0.673) 13.714 5.426 ( -0.682 0.860 -0.869) 1.400 5.946 ( -2.345 -5.117 -1.507) 5.827 6.210 ( 1.427 1.775 7.356) 7.701 6.721 ( -16.927 -2.862 -10.985) 20.381======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 3.398 7.397 1.093) 8.213 1.822 ( 6.218 9.507 -4.782) 12.325 2.063 ( 2.795 0.806 -0.271) 2.922 2.632 ( 6.127 -1.353 -1.074) 6.366 2.917 ( 3.048 18.643 5.438) 19.657 3.555 ( 10.321 6.367 0.193) 12.128 4.502 ( -4.121 -3.201 1.185) 5.351 4.967 ( -6.295 -7.896 -4.660) 11.121 5.478 ( 6.190 -0.738 -2.179) 6.604 5.918 ( 2.015 0.517 -0.330) 2.106 6.232 ( -7.885 5.298 5.789) 11.124 6.417 ( -7.521 -7.773 -5.214) 12.007======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 0.463 5.606 0.177) 5.628 1.986 ( 6.077 5.297 -4.420) 9.194 2.103 ( 1.982 -0.435 -0.540) 2.100 2.692 ( 4.763 -4.926 -2.092) 7.165 3.083 ( -4.718 15.847 3.772) 16.960 3.763 ( 7.182 3.570 1.827) 8.226 4.436 ( -0.890 -1.198 0.896) 1.741 4.756 ( -10.225 -0.436 -5.551) 11.643 5.563 ( 6.404 -2.369 -4.247) 8.042 5.984 ( 1.504 2.420 -1.167) 3.079 6.104 ( -5.372 1.484 0.949) 5.653 6.320 ( -1.380 -5.063 7.282) 8.976======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -2.092 3.871 -0.109) 4.401 2.077 ( 2.607 1.076 -2.680) 3.891 2.116 ( 1.076 -1.373 -1.586) 2.358 2.664 ( 0.668 -8.262 -4.792) 9.575 3.099 ( -10.091 12.046 2.023) 15.843 3.823 ( -1.680 -0.907 -0.087) 1.911 4.450 ( 0.827 0.070 1.231) 1.485 4.664 ( -2.715 9.726 -2.846) 10.491 5.594 ( 2.730 -3.860 -5.552) 7.292 5.977 ( -0.834 3.111 0.534) 3.265 6.136 ( -0.603 -0.216 -0.556) 0.849 6.312 ( 5.572 -3.537 12.530) 14.162======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( -4.543 1.456 0.140) 4.772 2.082 ( -1.196 -1.061 -0.384) 1.644 2.097 ( -0.906 -2.521 -1.065) 2.883 2.545 ( -2.467 -7.175 -7.034) 10.346 3.003 ( -14.139 9.044 0.449) 16.790 3.738 ( -4.911 -3.620 0.575) 6.128 4.464 ( 1.477 -0.214 1.883) 2.403 4.787 ( 2.629 12.939 -3.500) 13.659 5.562 ( 0.975 -5.180 -3.406) 6.275 6.020 ( -3.074 2.404 0.210) 3.908 6.039 ( -4.111 1.505 -0.376) 4.394 6.518 ( 15.541 -3.150 11.873) 19.809======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -7.113 -1.488 0.946) 7.328 1.996 ( -7.756 -2.514 1.629) 8.314 2.043 ( -2.745 -1.853 -0.865) 3.423 2.452 ( 0.082 -2.256 -5.710) 6.140 2.811 ( -17.396 5.852 -0.367) 18.357 3.604 ( -6.815 -5.827 2.021) 9.192 4.520 ( 4.136 0.770 1.939) 4.632 4.911 ( 0.214 9.450 -6.060) 11.228 5.513 ( -0.086 -5.093 -0.677) 5.139 5.916 ( -2.679 -0.821 -0.324) 2.820 6.077 ( -1.690 6.202 -1.058) 6.514 6.794 ( 16.773 -3.495 8.820) 19.270======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -10.402 -3.293 1.837) 11.065 1.796 ( -13.681 -2.086 -0.626) 13.854 1.960 ( -5.712 -0.849 0.389) 5.788 2.437 ( -4.942 1.243 -0.827) 5.163 2.588 ( -9.381 2.759 -1.681) 9.922 3.393 ( -13.240 -5.907 1.399) 14.565 4.622 ( 6.083 1.325 2.238) 6.616 4.916 ( -4.563 4.459 -5.854) 8.658 5.470 ( -0.346 -2.683 0.697) 2.794 5.960 ( 7.933 1.072 -0.925) 8.059 6.080 ( -3.653 4.073 -0.148) 5.473 7.040 ( 14.533 -4.071 3.049) 15.398======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( -14.301 -2.181 1.867) 14.586 1.507 ( -18.132 -2.385 -2.705) 18.487 1.842 ( -9.537 1.336 3.280) 10.174 2.243 ( -14.377 1.912 -0.060) 14.503 2.603 ( 4.288 0.311 -2.696) 5.075 3.064 ( -21.301 -1.923 -0.581) 21.395 4.729 ( 5.320 -4.138 0.211) 6.744 4.880 ( -3.519 9.820 1.903) 10.604 5.451 ( 0.028 -1.238 0.418) 1.307 6.026 ( -4.695 0.900 -0.004) 4.780 6.173 ( 14.727 0.792 0.442) 14.754 7.204 ( 10.774 -5.318 -4.337) 12.773======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( -0.000 18.273 0.635) 18.284 1.371 ( -0.000 11.086 7.668) 13.480 1.841 ( -0.000 10.428 8.291) 13.322 1.937 ( 0.000 10.814 -5.679) 12.215 2.512 ( 0.000 -5.042 -9.567) 10.814 2.966 ( 0.000 27.865 -1.091) 27.886 4.584 ( 0.000 -2.918 -1.006) 3.086 4.924 ( -0.000 -1.598 5.402) 5.633 5.521 ( -0.000 -2.053 2.980) 3.618 5.892 ( -0.000 1.814 0.046) 1.814 6.269 ( 0.000 -17.484 -1.857) 17.582 7.362 ( 0.000 0.380 -7.818) 7.827======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( -2.156 10.859 2.874) 11.438 1.537 ( 2.984 13.259 -0.931) 13.622 1.923 ( -0.398 6.813 1.887) 7.081 2.173 ( 12.425 13.778 0.426) 18.558 2.448 ( 1.179 -3.531 -5.854) 6.937 3.213 ( -0.512 24.352 -1.782) 24.422 4.637 ( 8.345 -2.171 -2.360) 8.940 4.868 ( -4.525 -5.289 7.501) 10.233 5.502 ( -1.523 -0.616 0.540) 1.730 5.956 ( 4.552 0.302 -0.118) 4.564 6.097 ( -0.092 -13.583 -0.666) 13.600 7.246 ( -10.257 -0.980 -7.347) 12.655======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 0.949 8.747 1.922) 9.006 1.694 ( 2.660 11.452 -3.799) 12.356 1.984 ( 1.251 3.613 0.121) 3.826 2.454 ( 4.230 -0.920 -2.608) 5.054 2.565 ( 15.899 15.127 4.529) 22.408 3.393 ( -0.821 17.170 -1.610) 17.264 4.683 ( -4.228 -1.995 -1.567) 4.930 4.816 ( 8.180 -8.997 2.688) 12.453 5.465 ( -2.504 0.408 -0.995) 2.725 5.921 ( -1.336 -5.183 -1.374) 5.526 6.128 ( 8.019 -2.391 3.581) 9.102 6.976 ( -17.319 -1.791 -7.143) 18.820======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 3.021 7.809 2.143) 8.643 1.825 ( 3.207 9.045 -4.216) 10.482 2.033 ( 1.767 1.560 -0.204) 2.366 2.517 ( 5.019 -1.933 0.411) 5.394 2.999 ( 13.736 18.179 6.457) 23.682 3.517 ( 1.411 10.066 -0.951) 10.209 4.554 ( -5.758 -4.197 1.582) 7.298 4.855 ( 5.509 -8.574 -7.526) 12.669 5.438 ( -0.693 0.684 -0.355) 1.037 5.897 ( 1.227 1.066 -0.433) 1.683 6.238 ( 6.201 -3.245 4.688) 8.424 6.623 ( -19.807 -1.807 -5.407) 20.611======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 1.374 6.762 1.449) 7.051 1.947 ( 4.036 6.031 -3.051) 7.872 2.068 ( 1.577 0.103 -0.310) 1.610 2.567 ( 4.138 -4.275 0.019) 5.950 3.328 ( -0.417 18.696 6.941) 19.947 3.666 ( 8.805 4.858 0.833) 10.091 4.452 ( -2.587 -2.051 0.600) 3.355 4.793 ( -0.260 -5.100 -10.667) 11.827 5.453 ( 2.642 -1.119 -0.323) 2.888 5.959 ( 2.867 3.569 -0.896) 4.665 6.250 ( -5.480 -7.345 -0.897) 9.208 6.334 ( -7.582 1.755 4.729) 9.107======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( -1.685 5.577 0.656) 5.863 2.037 ( 2.936 2.061 -2.322) 4.273 2.085 ( 0.975 -0.834 -0.447) 1.358 2.563 ( 1.671 -6.177 -1.627) 6.602 3.400 ( -9.539 13.463 4.430) 17.084 3.820 ( 2.736 1.280 0.824) 3.131 4.444 ( 0.702 0.867 0.848) 1.402 4.742 ( 0.878 3.927 -8.569) 9.467 5.485 ( 3.626 -3.552 -1.982) 5.449 6.002 ( -0.105 -0.218 -0.424) 0.488 6.127 ( -0.276 1.007 1.050) 1.481 6.297 ( -2.279 -3.114 6.843) 7.856======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( -4.708 3.137 0.437) 5.675 2.068 ( 1.157 -1.167 -1.682) 2.352 2.083 ( -0.027 -0.564 -0.498) 0.753 2.503 ( -1.197 -4.938 -2.676) 5.742 3.331 ( -13.371 9.717 2.565) 16.727 3.787 ( -4.414 -2.572 -0.422) 5.126 4.449 ( 0.100 -0.683 0.837) 1.085 4.850 ( 3.609 11.438 -5.145) 13.051 5.478 ( 1.738 -5.166 -2.192) 5.875 6.050 ( 3.895 3.858 0.407) 5.498 6.128 ( -4.537 -0.089 -0.913) 4.629 6.293 ( 7.410 -5.989 8.815) 12.980======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( -6.973 0.179 0.589) 7.000 2.053 ( -1.059 -1.126 -1.662) 2.270 2.063 ( -2.060 -0.570 0.255) 2.152 2.439 ( -1.527 -0.648 -1.326) 2.123 3.159 ( -17.085 5.229 1.468) 17.927 3.666 ( -5.995 -3.356 0.392) 6.882 4.465 ( 2.481 -0.557 0.709) 2.640 4.980 ( 1.299 9.060 -4.703) 10.290 5.451 ( 1.353 -4.079 -0.551) 4.332 6.000 ( -7.655 -0.902 -0.257) 7.713 6.142 ( 0.400 5.311 -0.853) 5.394 6.476 ( 17.622 -6.880 5.572) 19.721======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( -8.769 -0.645 0.728) 8.823 1.952 ( -8.352 -1.551 -3.362) 9.136 2.030 ( -2.752 0.692 0.695) 2.921 2.453 ( 1.136 3.292 2.358) 4.206 2.885 ( -19.240 0.384 1.162) 19.279 3.532 ( -8.120 -1.210 -0.125) 8.211 4.525 ( 5.217 -1.020 0.398) 5.331 5.021 ( -2.150 3.989 -2.659) 5.254 5.446 ( 0.703 -0.560 -0.148) 0.911 5.909 ( -1.541 0.177 -0.219) 1.566 6.157 ( -2.198 1.429 0.964) 2.793 6.725 ( 17.751 -5.661 -1.410) 18.685======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( -11.101 0.995 0.090) 11.146 1.739 ( -13.934 -1.267 -5.019) 14.864 1.983 ( -4.899 1.956 1.642) 5.525 2.498 ( -7.611 3.005 5.104) 9.645 2.593 ( -8.836 -1.028 -1.182) 8.974 3.357 ( -13.915 2.740 -2.125) 14.341 4.602 ( 5.480 -3.217 -0.066) 6.355 5.019 ( -1.202 5.131 4.266) 6.780 5.449 ( -0.797 1.194 -1.340) 1.964 5.966 ( 7.651 -0.042 -0.383) 7.661 6.109 ( -3.403 -2.468 3.102) 5.224 6.920 ( 14.141 -5.756 -8.758) 17.602======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( -0.000 4.186 1.091) 4.325 1.631 ( 0.000 14.013 -4.455) 14.704 2.012 ( -0.000 3.724 1.192) 3.910 2.181 ( 0.000 15.646 -1.152) 15.689 2.395 ( 0.000 -1.594 -1.426) 2.139 3.442 ( 0.000 21.617 -2.409) 21.751 4.545 ( -0.000 -0.862 0.248) 0.896 4.881 ( -0.000 -7.410 7.739) 10.715 5.512 ( 0.000 0.075 -1.107) 1.109 5.918 ( 0.000 0.906 -0.145) 0.918 5.971 ( 0.000 -10.682 -1.804) 10.833 7.292 ( 0.000 -2.919 -6.323) 6.964======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 0.965 4.103 -0.111) 4.216 1.744 ( 1.698 9.814 -6.557) 11.925 2.017 ( -0.925 2.306 -0.799) 2.610 2.393 ( 3.506 4.206 -0.664) 5.516 2.465 ( 11.095 10.816 4.419) 16.113 3.589 ( -2.631 15.632 -1.696) 15.943 4.595 ( 5.822 -1.012 -1.389) 6.070 4.776 ( -5.188 -8.972 6.560) 12.265 5.496 ( -1.357 0.353 -2.218) 2.624 5.891 ( -0.331 -2.731 -0.737) 2.848 5.985 ( 6.618 -1.112 0.625) 6.739 7.156 ( -9.591 -3.895 -5.986) 11.958======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 3.773 4.808 0.845) 6.170 1.837 ( 2.935 6.536 -5.793) 9.214 2.033 ( 0.447 1.786 -0.164) 1.849 2.455 ( 2.089 0.924 2.926) 3.712 2.866 ( 19.557 12.662 3.948) 23.630 3.659 ( -3.530 11.053 -0.064) 11.603 4.612 ( -6.071 -6.228 2.340) 9.007 4.664 ( 5.506 -5.005 -4.407) 8.649 5.467 ( -1.770 0.579 -1.313) 2.279 5.898 ( 0.862 3.221 -0.280) 3.346 6.096 ( 7.720 -2.776 1.820) 8.404 6.884 ( -15.922 -3.743 -4.920) 17.080======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 4.329 4.886 1.323) 6.661 1.930 ( 3.476 4.522 -3.022) 6.455 2.056 ( 0.628 0.885 -0.083) 1.088 2.492 ( 1.564 -1.480 2.143) 3.038 3.338 ( 19.875 11.897 6.198) 23.978 3.692 ( -3.565 7.941 0.943) 8.756 4.482 ( -3.696 -3.135 0.242) 4.852 4.662 ( 3.148 -5.658 -8.372) 10.584 5.444 ( -1.128 0.066 0.129) 1.138 5.962 ( 1.559 5.220 -1.006) 5.540 6.173 ( 4.367 -4.673 1.738) 6.628 6.567 ( -16.124 -2.151 -1.773) 16.363======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 1.872 5.056 0.703) 5.438 2.002 ( 2.216 1.118 -0.928) 2.650 2.070 ( 0.551 0.179 -0.159) 0.601 2.492 ( 0.861 -3.257 0.342) 3.387 3.661 ( -4.456 9.878 6.294) 12.531 3.745 ( 9.164 2.774 0.357) 9.581 4.454 ( 0.071 2.213 0.900) 2.390 4.644 ( 5.673 -2.889 -9.596) 11.515 5.430 ( -0.069 -1.318 0.469) 1.401 6.009 ( -0.967 1.664 -1.952) 2.741 6.149 ( -1.306 -2.555 1.078) 3.065 6.362 ( -6.757 -1.110 2.412) 7.260======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -3.592 3.870 0.681) 5.323 2.023 ( 2.140 -1.801 -0.804) 2.910 2.077 ( 0.299 0.036 -0.181) 0.351 2.472 ( 0.167 -2.030 -0.614) 2.128 3.609 ( -9.644 4.406 3.040) 11.030 3.824 ( -1.482 -0.419 -0.363) 1.582 4.457 ( -1.316 -0.214 0.587) 1.457 4.801 ( 11.189 6.673 -5.465) 14.127 5.415 ( 0.364 -2.509 -0.068) 2.537 5.985 ( 2.175 -1.135 0.537) 2.511 6.154 ( 0.678 1.054 0.041) 1.254 6.271 ( -4.258 -2.951 2.682) 5.834======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( -6.426 -0.357 0.517) 6.457 2.046 ( 0.963 0.625 -0.628) 1.308 2.079 ( -0.277 0.162 -0.131) 0.346 2.463 ( -0.589 1.522 0.576) 1.730 3.444 ( -13.240 -1.514 2.241) 13.513 3.751 ( -5.864 0.540 -0.140) 5.890 4.441 ( -0.011 -0.410 0.064) 0.415 4.979 ( 4.771 3.257 -4.000) 7.026 5.411 ( 1.006 0.492 0.265) 1.151 6.104 ( 5.966 0.232 0.571) 5.998 6.126 ( -0.855 1.558 -3.675) 4.083 6.210 ( 2.207 -6.066 4.400) 7.812======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( -7.105 -0.667 0.470) 7.152 2.035 ( -3.731 0.923 -2.391) 4.527 2.071 ( -1.026 1.141 0.260) 1.556 2.499 ( 0.167 5.499 4.026) 6.817 3.167 ( -16.311 -5.923 2.535) 17.538 3.661 ( -6.988 2.959 -0.185) 7.591 4.452 ( 2.208 -0.764 -0.521) 2.394 5.006 ( 2.070 -4.648 -2.307) 5.586 5.460 ( 0.577 5.625 0.168) 5.657 5.992 ( -7.183 0.562 -0.976) 7.271 6.180 ( -0.485 -3.599 2.981) 4.699 6.367 ( 17.825 -2.875 -4.924) 18.714======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( -7.992 0.877 -0.171) 8.042 1.920 ( -9.991 1.674 -4.979) 11.288 2.061 ( -2.241 1.814 0.537) 2.933 2.585 ( 0.135 6.953 6.098) 9.249 2.831 ( -17.620 -6.126 2.308) 18.797 3.569 ( -8.668 4.886 -1.405) 10.049 4.494 ( 4.264 -1.765 -0.505) 4.643 4.993 ( 4.332 -6.422 1.849) 7.964 5.513 ( -1.883 7.156 -0.923) 7.456 5.920 ( -1.631 1.107 0.089) 1.973 6.123 ( -1.750 -6.700 3.964) 7.979 6.593 ( 15.500 -3.178 -10.827) 19.172======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 0.000 2.186 -1.077) 2.437 1.776 ( 0.000 5.613 -9.843) 11.331 2.032 ( 0.000 0.924 -0.859) 1.261 2.445 ( -0.000 3.132 6.651) 7.352 2.459 ( -0.000 12.817 0.164) 12.818 3.728 ( 0.000 9.788 -1.500) 9.903 4.552 ( -0.000 0.874 0.974) 1.308 4.748 ( -0.000 -10.297 5.039) 11.464 5.502 ( 0.000 0.430 -2.663) 2.697 5.888 ( -0.000 2.405 0.046) 2.406 5.924 ( 0.000 0.014 -0.411) 0.411 7.171 ( 0.000 -5.427 -5.873) 7.997======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 3.186 2.352 -0.361) 3.976 1.807 ( 2.987 2.800 -7.761) 8.775 2.045 ( 0.089 1.484 0.354) 1.528 2.482 ( -0.716 3.195 5.045) 6.014 2.693 ( 13.575 9.227 1.853) 16.518 3.782 ( -1.371 5.575 -0.023) 5.741 4.576 ( 1.215 -0.696 -0.336) 1.440 4.635 ( -3.414 -7.471 1.787) 8.406 5.491 ( -1.023 0.570 -1.648) 2.022 5.929 ( 0.502 4.728 -0.299) 4.764 5.975 ( 4.940 0.656 0.673) 5.028 7.026 ( -8.444 -5.467 -5.489) 11.460======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 5.618 2.387 0.547) 6.129 1.881 ( 4.995 2.284 -3.328) 6.422 2.059 ( 0.066 0.848 0.414) 0.946 2.501 ( -1.225 0.854 3.587) 3.885 3.076 ( 21.848 6.718 2.560) 23.000 3.801 ( -1.624 3.294 1.153) 3.850 4.511 ( -3.262 -2.764 -0.625) 4.321 4.583 ( -0.068 -2.165 -2.170) 3.066 5.470 ( -1.577 0.337 -0.315) 1.644 5.988 ( 1.566 4.129 -1.069) 4.543 6.068 ( 4.651 0.246 1.302) 4.836 6.777 ( -13.535 -3.983 -4.088) 14.689======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 5.783 1.588 0.013) 5.997 1.973 ( 3.631 1.587 -0.166) 3.966 2.065 ( 0.032 0.105 0.230) 0.255 2.483 ( -1.564 -1.106 1.599) 2.495 3.503 ( 21.341 2.504 0.999) 21.511 3.797 ( -2.369 1.418 1.654) 3.219 4.487 ( 0.726 4.086 0.713) 4.211 4.538 ( -0.804 -3.480 -2.969) 4.644 5.443 ( -1.740 -0.222 0.334) 1.786 6.038 ( 0.342 2.676 -1.666) 3.171 6.123 ( 1.878 -0.885 1.005) 2.307 6.513 ( -12.664 -1.926 -1.878) 12.947======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 4.923 -0.496 -0.473) 4.971 2.000 ( -1.554 0.394 0.475) 1.672 2.071 ( 0.523 0.115 0.171) 0.562 2.460 ( -0.123 -0.284 0.172) 0.354 3.715 ( 0.068 -3.604 -3.439) 4.982 3.789 ( 4.408 -0.490 2.081) 4.899 4.481 ( -1.550 -1.851 -0.781) 2.537 4.651 ( 10.391 7.443 3.141) 13.162 5.413 ( -1.351 -0.456 0.033) 1.426 6.015 ( -4.418 1.468 -0.945) 4.750 6.141 ( 1.307 -0.664 0.630) 1.595 6.335 ( -6.502 -1.696 -1.109) 6.811======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -3.221 -4.455 -0.223) 5.502 2.034 ( 2.155 2.824 0.246) 3.561 2.080 ( 0.322 0.284 0.094) 0.440 2.482 ( 1.179 2.941 0.339) 3.187 3.567 ( -7.918 -8.466 -1.126) 11.646 3.826 ( -0.465 0.133 -0.010) 0.484 4.449 ( -0.765 -0.578 -0.206) 0.981 4.881 ( 7.257 1.472 2.316) 7.759 5.416 ( 1.419 3.198 0.033) 3.499 5.980 ( 0.667 0.945 -0.056) 1.158 6.153 ( 1.147 -1.466 0.088) 1.864 6.227 ( -4.848 -1.793 -1.521) 5.388======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -4.382 -3.226 0.100) 5.442 2.081 ( -0.242 2.214 -0.322) 2.250 2.090 ( 0.270 1.471 0.165) 1.505 2.556 ( 1.746 6.731 2.253) 7.310 3.312 ( -10.887 -11.371 0.733) 15.759 3.796 ( -4.424 2.464 0.594) 5.099 4.437 ( -0.463 0.078 -0.367) 0.596 4.896 ( 0.857 -8.894 -0.756) 8.967 5.517 ( 1.937 8.514 1.077) 8.797 6.049 ( 7.453 -5.040 -0.386) 9.005 6.114 ( -6.369 1.108 -3.234) 7.229 6.179 ( 3.951 -0.419 0.084) 3.974======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -4.934 -1.468 -0.119) 5.149 2.059 ( -4.791 3.069 -2.801) 6.342 2.106 ( -1.037 2.232 0.236) 2.472 2.674 ( 1.211 9.070 4.492) 10.194 3.015 ( -12.690 -10.133 2.179) 16.385 3.738 ( -6.482 4.025 0.657) 7.659 4.435 ( 1.023 -0.391 -0.804) 1.359 4.819 ( 4.205 -12.685 -0.601) 13.377 5.611 ( -0.794 8.373 0.427) 8.421 6.013 ( -6.423 2.383 -1.251) 6.965 6.056 ( 1.970 -8.467 2.412) 9.021 6.318 ( 11.744 0.162 -6.731) 13.537======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 0.000 1.332 -0.641) 1.478 1.776 ( 0.000 1.727 -4.949) 5.241 2.059 ( -0.000 1.055 0.787) 1.316 2.538 ( -0.000 1.468 5.830) 6.012 2.650 ( -0.000 6.885 0.269) 6.890 3.822 ( -0.000 1.462 0.429) 1.524 4.577 ( -0.000 0.951 0.181) 0.969 4.596 ( -0.000 -6.322 0.201) 6.325 5.501 ( 0.000 0.595 -0.842) 1.031 5.918 ( 0.000 -0.212 -0.442) 0.490 6.006 ( -0.000 7.448 0.762) 7.487 7.025 ( 0.000 -5.070 -5.802) 7.706======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 4.164 0.888 -0.072) 4.258 1.818 ( 3.620 2.251 -0.082) 4.264 2.068 ( -0.057 0.325 0.760) 0.829 2.545 ( -1.518 -0.142 3.686) 3.989 2.821 ( 13.865 3.032 1.063) 14.233 3.827 ( -0.166 -0.141 0.533) 0.576 4.532 ( -1.939 -1.656 -1.067) 2.764 4.579 ( -0.576 -0.329 -0.439) 0.795 5.496 ( -1.044 0.487 0.201) 1.170 5.945 ( 3.259 -0.115 -0.446) 3.291 6.073 ( 0.504 4.473 0.775) 4.567 6.906 ( -7.553 -2.291 -5.340) 9.530======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 5.965 -0.289 -0.428) 5.987 1.918 ( 4.666 2.120 2.680) 5.783 2.069 ( -0.134 -0.200 0.559) 0.609 2.510 ( -2.251 -1.925 1.566) 3.350 3.137 ( 21.652 -1.356 -0.061) 21.694 3.818 ( -0.555 -0.971 0.046) 1.119 4.502 ( -1.153 0.452 -0.696) 1.420 4.563 ( -0.921 1.646 1.103) 2.185 5.477 ( -1.942 0.217 0.737) 2.089 6.008 ( 3.957 0.619 -0.591) 4.049 6.104 ( 0.720 -0.508 0.612) 1.073 6.714 ( -12.744 1.337 -4.310) 13.519======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 5.769 -2.324 -0.875) 6.281 1.999 ( 2.038 0.307 2.269) 3.066 2.067 ( 0.171 -0.089 0.393) 0.438 2.464 ( -0.883 -1.204 -0.164) 1.502 3.445 ( 19.138 -6.753 -4.287) 20.742 3.779 ( -1.926 -3.357 -0.146) 3.872 4.472 ( -1.328 -1.240 -0.664) 1.935 4.645 ( 4.131 7.737 7.193) 11.343 5.442 ( -2.338 -0.066 0.302) 2.358 6.064 ( 1.176 0.405 0.566) 1.366 6.106 ( 1.666 -1.547 -0.314) 2.295 6.496 ( -13.987 2.512 -3.687) 14.681======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 2.186 -5.653 -1.060) 6.153 2.025 ( 1.515 0.458 1.290) 2.042 2.074 ( 0.536 -0.135 0.278) 0.618 2.480 ( 2.258 2.522 -0.875) 3.496 3.528 ( 1.728 -12.115 -6.163) 13.702 3.746 ( 4.893 -4.007 0.268) 6.330 4.444 ( -0.580 -0.869 -0.272) 1.080 4.840 ( 4.929 5.966 9.486) 12.242 5.419 ( 0.209 1.400 -0.565) 1.524 6.059 ( -0.791 -1.305 3.076) 3.434 6.124 ( -1.583 3.185 -1.340) 3.801 6.296 ( -8.805 -0.534 -4.149) 9.749======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( -0.929 -5.424 -0.319) 5.512 2.074 ( 2.691 0.032 1.229) 2.959 2.090 ( 1.220 1.088 0.059) 1.636 2.572 ( 4.112 6.111 -0.951) 7.427 3.328 ( -6.229 -14.434 -2.524) 15.922 3.803 ( 4.090 -2.319 -0.765) 4.764 4.435 ( 0.356 -0.647 -0.035) 0.739 4.873 ( -5.281 -3.876 4.060) 7.707 5.519 ( 6.679 5.875 0.757) 8.927 6.033 ( -5.631 3.077 2.555) 6.907 6.101 ( 1.865 -3.266 -0.629) 3.813 6.196 ( -3.075 1.007 -3.082) 4.468======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -2.027 -3.512 -0.000) 4.055 2.101 ( 0.419 0.726 0.000) 0.838 2.137 ( 1.237 2.143 -0.000) 2.474 2.720 ( 4.966 8.601 -0.000) 9.932 3.073 ( -7.545 -13.068 -0.000) 15.089 3.823 ( 0.017 0.029 -0.000) 0.033 4.437 ( 0.007 0.012 -0.000) 0.014 4.694 ( -6.003 -10.398 -0.000) 12.006 5.673 ( 3.368 5.833 -0.000) 6.735 5.972 ( -1.501 -2.601 -0.000) 3.003 6.142 ( 0.133 0.231 -0.000) 0.266 6.160 ( 1.199 2.076 0.000) 2.397======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -0.000 0.383 0.442) 0.585 1.822 ( -0.000 3.354 4.912) 5.948 2.071 ( -0.000 -0.347 0.812) 0.883 2.557 ( -0.000 -2.801 3.094) 4.174 2.719 ( -0.000 0.004 0.527) 0.527 3.823 ( 0.000 -0.777 -0.156) 0.793 4.537 ( 0.000 0.577 -1.002) 1.157 4.578 ( 0.000 -0.362 -1.601) 1.642 5.513 ( -0.000 0.550 1.160) 1.284 5.916 ( 0.000 0.236 -0.164) 0.287 6.094 ( -0.000 -0.429 0.588) 0.728 6.950 ( 0.000 2.202 -5.479) 5.905======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 3.476 -0.625 0.370) 3.551 1.900 ( 2.333 3.282 7.473) 8.488 2.067 ( -0.017 -0.896 0.666) 1.116 2.515 ( -1.291 -4.502 0.954) 4.779 2.817 ( 13.054 -4.012 0.531) 13.667 3.813 ( -0.264 -0.973 -0.932) 1.373 4.536 ( -1.766 1.802 -0.740) 2.629 4.575 ( 0.948 1.042 -0.688) 1.568 5.512 ( -1.320 0.455 1.778) 2.261 5.948 ( 3.349 0.690 -0.115) 3.422 6.069 ( 0.440 -5.271 0.333) 5.299 6.910 ( -7.747 6.214 -4.903) 11.076======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 4.747 -2.593 -0.354) 5.420 1.979 ( 1.763 0.184 5.937) 6.196 2.061 ( 0.236 -0.855 0.522) 1.030 2.453 ( -0.592 -3.668 -0.938) 3.832 3.034 ( 19.027 -8.383 -1.672) 20.859 3.773 ( -1.927 -3.757 -1.568) 4.504 4.510 ( -2.795 1.759 -0.782) 3.394 4.654 ( 4.743 4.845 4.594) 8.190 5.488 ( -2.598 0.090 1.491) 2.997 6.012 ( 1.950 -4.699 1.274) 5.244 6.043 ( 4.415 -0.279 -1.194) 4.582 6.778 ( -14.306 7.321 -4.048) 16.572======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 3.903 -5.604 -1.308) 6.953 1.998 ( 1.165 -3.016 3.557) 4.807 2.061 ( 0.579 -1.021 0.342) 1.223 2.450 ( 2.683 0.941 -1.900) 3.420 3.222 ( 15.492 -12.965 -4.936) 20.796 3.676 ( -1.655 -6.731 -0.626) 6.960 4.477 ( -2.978 1.889 -0.427) 3.552 4.841 ( 7.016 6.546 8.954) 13.125 5.444 ( -2.460 -0.001 0.154) 2.465 5.985 ( 2.306 -6.428 1.155) 6.926 6.144 ( 4.406 3.530 -0.981) 5.730 6.560 ( -18.095 6.243 -2.556) 19.312======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 2.510 -6.709 -0.929) 7.224 2.008 ( 3.344 -3.971 3.011) 6.001 2.072 ( 1.564 -0.134 0.022) 1.570 2.536 ( 5.170 4.358 -3.264) 7.508 3.203 ( 2.266 -17.424 -4.837) 18.224 3.659 ( 6.536 -4.857 0.015) 8.143 4.449 ( -2.158 1.380 0.214) 2.570 4.965 ( -2.940 1.667 6.040) 6.921 5.460 ( 4.505 2.769 0.199) 5.291 5.981 ( 3.623 -5.259 1.229) 6.504 6.212 ( -0.488 -0.631 -3.662) 3.748 6.327 ( -15.251 9.525 3.309) 18.283======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( -0.000 -0.955 0.946) 1.345 1.947 ( -0.000 2.858 11.107) 11.469 2.057 ( -0.000 -1.324 0.587) 1.448 2.473 ( 0.000 -6.463 -0.228) 6.467 2.657 ( -0.000 -7.001 0.886) 7.057 3.804 ( 0.000 -1.025 -1.466) 1.788 4.549 ( 0.000 -0.970 -2.496) 2.678 4.592 ( 0.000 5.030 -0.109) 5.031 5.536 ( -0.000 0.443 2.606) 2.644 5.924 ( -0.000 0.495 0.076) 0.501 6.001 ( -0.000 -7.660 0.189) 7.662 7.035 ( 0.000 8.990 -4.835) 10.208======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 2.149 -2.469 0.358) 3.293 1.981 ( -0.101 -3.522 8.077) 8.812 2.055 ( -0.210 0.026 1.641) 1.654 2.410 ( 0.129 -4.703 -1.082) 4.828 2.682 ( 11.899 -10.160 0.567) 15.657 3.763 ( -1.997 -4.270 -1.942) 5.099 4.555 ( 1.198 1.912 -2.367) 3.270 4.642 ( 0.940 4.536 2.509) 5.268 5.532 ( -1.748 -0.034 2.519) 3.066 5.937 ( 0.615 -6.138 0.488) 6.188 5.967 ( 4.336 0.798 -0.194) 4.413 7.038 ( -8.459 9.245 -4.328) 13.258======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 2.448 -5.673 -0.985) 6.257 1.949 ( 0.771 -7.512 5.070) 9.096 2.041 ( -0.081 -2.328 0.318) 2.351 2.408 ( 2.297 0.891 -1.073) 2.688 2.816 ( 16.214 -13.081 -1.146) 20.864 3.641 ( -3.317 -9.055 -1.639) 9.782 4.564 ( -3.502 4.757 -2.447) 6.394 4.780 ( 8.887 3.777 6.847) 11.838 5.493 ( -3.177 -0.701 1.270) 3.492 5.907 ( 0.954 -3.255 0.549) 3.436 6.073 ( 6.435 1.758 -0.508) 6.690 6.909 ( -15.464 8.215 -2.500) 17.688======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 3.333 -8.058 -1.351) 8.824 1.913 ( 2.677 -8.618 4.487) 10.078 2.035 ( 1.893 -1.739 -0.230) 2.581 2.481 ( 4.228 3.560 -3.036) 6.306 2.904 ( 11.015 -17.134 -2.869) 20.570 3.530 ( 2.155 -8.406 0.326) 8.684 4.531 ( -4.460 3.939 -0.792) 6.003 4.983 ( 6.523 2.953 5.023) 8.747 5.444 ( -1.062 -0.027 0.276) 1.097 5.906 ( 1.049 -1.118 0.380) 1.579 6.172 ( 3.563 -0.184 -2.084) 4.131 6.704 ( -17.317 8.841 2.822) 19.647======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 0.000 -3.219 -0.123) 3.221 1.939 ( -0.000 -9.620 5.350) 11.008 2.068 ( -0.000 -1.891 1.322) 2.308 2.378 ( -0.000 -0.570 1.866) 1.951 2.473 ( -0.000 -12.567 1.551) 12.662 3.724 ( 0.000 -7.727 -2.041) 7.992 4.526 ( 0.000 0.274 -1.497) 1.522 4.708 ( -0.000 6.392 1.151) 6.495 5.552 ( -0.000 -0.944 2.373) 2.554 5.897 ( -0.000 -1.209 0.884) 1.498 5.930 ( -0.000 -0.004 0.147) 0.147 7.184 ( 0.000 9.214 -4.579) 10.289======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.559 ( 0.339 -6.228 -1.632) 6.447 1.849 ( 1.246 -13.218 3.608) 13.758 2.014 ( -0.807 -5.351 -1.518) 5.620 2.395 ( 1.959 -1.096 1.191) 2.541 2.472 ( 9.505 -8.583 3.656) 13.318 3.585 ( -2.994 -13.682 -2.099) 14.162 4.589 ( 5.570 3.260 -2.412) 6.890 4.753 ( -1.125 4.091 4.690) 6.324 5.528 ( -1.803 -1.860 1.017) 2.783 5.913 ( -0.701 4.189 1.401) 4.472 5.979 ( 5.407 0.422 0.001) 5.424 7.181 ( -8.666 8.141 -3.637) 12.434======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 1.408 -10.288 -2.393) 10.657 1.773 ( 3.555 -13.200 3.573) 14.129 1.970 ( 2.182 -4.593 -1.332) 5.257 2.441 ( 4.906 -1.650 -1.526) 5.397 2.566 ( 9.220 -8.727 2.507) 12.940 3.403 ( 0.220 -15.272 -0.588) 15.285 4.649 ( -3.963 5.915 -3.163) 7.791 4.860 ( 9.990 0.258 5.416) 11.366 5.474 ( -2.503 -1.408 -0.108) 2.874 5.949 ( -2.343 6.915 1.303) 7.416 6.084 ( 5.878 -0.226 -1.008) 5.968 7.052 ( -14.055 7.562 0.464) 15.967======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 0.000 -8.126 -3.338) 8.785 1.690 ( -0.000 -17.850 0.633) 17.861 1.946 ( 0.000 -8.224 -3.397) 8.898 2.232 ( -0.000 -13.323 3.515) 13.779 2.483 ( -0.000 6.282 5.843) 8.579 3.442 ( 0.000 -20.272 -2.556) 20.433 4.547 ( -0.000 2.286 0.406) 2.322 4.834 ( -0.000 4.802 3.324) 5.840 5.523 ( 0.000 -2.467 -0.007) 2.467 5.922 ( -0.000 -0.982 0.273) 1.020 6.008 ( -0.000 11.252 1.913) 11.414 7.314 ( 0.000 7.319 -4.273) 8.475======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( -1.307 -13.435 -4.598) 14.260 1.562 ( 5.120 -17.285 0.036) 18.028 1.864 ( 2.092 -8.982 -2.520) 9.560 2.199 ( 8.059 -11.903 2.859) 14.656 2.560 ( -0.318 6.031 4.343) 7.439 3.213 ( 0.100 -23.338 -1.876) 23.413 4.649 ( 7.731 4.336 -1.499) 8.990 4.841 ( -4.132 1.234 5.584) 7.055 5.488 ( -1.258 -1.802 -1.136) 2.474 5.964 ( 5.399 -1.387 0.644) 5.611 6.117 ( -2.780 14.078 1.189) 14.399 7.299 ( -7.792 6.336 -2.330) 10.310======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( 0.000 -15.589 -6.255) 16.797 1.302 ( 0.000 -21.118 -3.511) 21.407 1.724 ( 0.000 -13.820 -1.792) 13.936 2.048 ( -0.000 -8.646 5.150) 10.064 2.638 ( -0.000 6.408 2.519) 6.885 2.957 ( 0.000 -27.198 -1.970) 27.269 4.612 ( -0.000 3.641 1.674) 4.008 4.915 ( -0.000 0.219 5.622) 5.626 5.477 ( 0.000 -1.168 -2.054) 2.362 5.897 ( -0.000 -1.898 0.551) 1.976 6.300 ( -0.000 16.850 1.445) 16.912 7.409 ( 0.000 5.402 -3.621) 6.504======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.431 ( -0.000 0.000 21.721) 21.721 0.431 ( -0.000 0.000 21.721) 21.721 0.704 ( -0.000 0.000 35.472) 35.472 1.840 ( 0.000 -0.000 -4.468) 4.468 1.840 ( 0.000 -0.000 -4.468) 4.468 3.039 ( 0.000 -0.000 -7.672) 7.672 4.774 ( 0.000 -0.000 -0.633) 0.633 4.774 ( 0.000 -0.000 -0.633) 0.633 5.814 ( -0.000 0.000 0.675) 0.675 5.814 ( -0.000 0.000 0.675) 0.675 6.853 ( -0.000 0.000 0.495) 0.495 6.940 ( 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: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( 9.760 5.635 14.795) 18.599 0.599 ( 6.868 3.965 18.401) 20.037 1.143 ( 22.787 13.156 23.272) 35.127 1.885 ( 3.710 2.142 -3.479) 5.519 1.942 ( 9.752 5.630 -10.170) 15.173 2.856 ( -8.422 -4.862 -4.158) 10.576 4.766 ( -1.317 -0.761 -0.319) 1.554 4.857 ( 7.765 4.483 -1.271) 9.055 5.714 ( -4.238 -2.447 12.073) 13.027 5.844 ( 1.808 1.044 1.008) 2.318 6.850 ( -7.285 -4.206 -0.758) 8.446 7.082 ( 7.469 4.312 -18.562) 20.468======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( 10.629 6.137 8.226) 14.775 0.881 ( 12.563 7.253 7.771) 16.457 1.643 ( 14.928 8.619 12.638) 21.374 1.982 ( 5.966 3.445 -2.382) 7.289 2.198 ( 16.867 9.738 -9.646) 21.734 2.726 ( -1.276 -0.737 -4.563) 4.795 4.718 ( -2.758 -1.592 -0.373) 3.206 5.063 ( 10.526 6.077 -0.334) 12.159 5.674 ( -4.641 -2.680 16.180) 17.044 5.890 ( 1.823 1.053 0.878) 2.281 6.627 ( -12.258 -7.077 -0.450) 14.161 7.044 ( -3.290 -1.899 -20.091) 20.447======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 12.850 7.419 -0.336) 14.842 1.166 ( 11.280 6.513 3.375) 13.455 1.885 ( 6.480 3.741 2.865) 8.012 2.134 ( 8.334 4.812 -1.357) 9.718 2.504 ( 9.419 5.438 -3.723) 11.495 2.853 ( 15.183 8.766 -2.984) 17.784 4.649 ( -3.304 -1.907 -0.334) 3.829 5.293 ( 10.032 5.792 -1.219) 11.648 5.589 ( -8.462 -4.885 17.674) 20.195 5.922 ( 0.831 0.480 0.368) 1.027 6.336 ( -13.194 -7.618 -0.694) 15.251 6.862 ( -6.706 -3.871 -18.539) 20.091======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 8.386 4.841 0.722) 9.710 1.407 ( 14.798 8.543 -5.122) 17.838 2.000 ( 4.151 2.396 -0.092) 4.794 2.333 ( 9.821 5.670 -0.783) 11.367 2.651 ( 6.122 3.535 0.639) 7.098 3.235 ( 17.365 10.026 -1.938) 20.145 4.576 ( -3.184 -1.838 0.248) 3.685 5.366 ( -11.863 -6.849 6.758) 15.274 5.509 ( 5.116 2.954 3.094) 6.669 5.928 ( -0.257 -0.148 -0.149) 0.332 6.082 ( -8.590 -4.959 -1.242) 9.996 6.660 ( -6.672 -3.852 -11.369) 13.734======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 5.440 3.141 -0.553) 6.306 1.714 ( 14.351 8.285 -6.974) 17.979 2.078 ( 3.013 1.740 -0.237) 3.487 2.542 ( 8.977 5.183 -0.781) 10.395 2.787 ( 5.805 3.352 0.411) 6.716 3.559 ( 12.122 6.998 0.742) 14.016 4.514 ( -2.649 -1.529 1.398) 3.363 5.023 ( -18.978 -10.957 2.928) 22.108 5.621 ( 4.331 2.501 -4.720) 6.877 5.915 ( -0.698 -0.403 -0.310) 0.863 5.985 ( 0.169 0.098 -0.025) 0.197 6.506 ( -5.725 -3.305 -0.405) 6.623======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 2.902 1.675 -0.936) 3.479 1.965 ( 9.996 5.771 -7.034) 13.516 2.129 ( 1.715 0.990 -0.801) 2.137 2.703 ( 5.479 3.164 -0.989) 6.404 2.885 ( 2.780 1.605 -3.287) 4.595 3.773 ( 6.621 3.823 2.077) 7.923 4.471 ( -1.793 -1.035 2.582) 3.309 4.624 ( -15.375 -8.877 -0.589) 17.763 5.668 ( 1.921 1.109 -7.255) 7.587 5.902 ( -0.341 -0.197 -0.057) 0.398 6.071 ( 6.378 3.682 0.708) 7.398 6.400 ( -4.972 -2.870 9.217) 10.859======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 0.586 0.339 -0.777) 1.031 2.091 ( 2.818 1.627 -3.445) 4.739 2.152 ( 1.194 0.689 -3.101) 3.394 2.763 ( 0.059 0.034 -1.121) 1.123 2.856 ( -4.122 -2.380 -8.441) 9.691 3.824 ( -2.226 -1.285 -0.438) 2.607 4.454 ( -0.590 -0.341 3.026) 3.102 4.459 ( 1.309 0.756 1.892) 2.421 5.670 ( 0.530 0.306 -7.003) 7.030 5.902 ( 0.351 0.203 0.337) 0.527 6.139 ( -3.019 -1.743 -1.302) 3.722 6.436 ( 6.643 3.835 16.381) 18.088======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( -1.741 -1.005 -0.145) 2.016 2.090 ( -1.648 -0.951 -1.062) 2.179 2.140 ( -2.615 -1.510 -0.677) 3.095 2.674 ( -7.730 -4.463 -11.811) 14.805 2.695 ( -5.798 -3.348 -1.311) 6.822 3.753 ( -3.344 -1.931 1.440) 4.122 4.465 ( 0.782 0.452 2.357) 2.524 4.602 ( 9.026 5.211 -0.929) 10.463 5.650 ( -0.594 -0.343 -5.303) 5.347 5.916 ( 0.681 0.393 0.487) 0.925 6.007 ( -6.740 -3.891 0.109) 7.784 6.707 ( 11.439 6.604 15.492) 20.358======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -4.479 -2.586 1.132) 5.295 1.972 ( -10.810 -6.241 2.991) 12.836 2.052 ( -4.219 -2.436 0.207) 4.876 2.511 ( -10.022 -5.786 -2.014) 11.747 2.524 ( -1.460 -0.843 -10.443) 10.579 3.658 ( -7.452 -4.302 4.211) 9.580 4.501 ( 1.911 1.104 0.907) 2.386 4.786 ( 7.916 4.570 -6.268) 11.084 5.598 ( -3.098 -1.788 -2.464) 4.343 5.917 ( 0.172 0.099 -1.125) 1.143 5.929 ( 0.264 0.152 0.221) 0.377 7.001 ( 10.570 6.103 13.609) 18.281======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -8.432 -4.868 3.341) 10.293 1.674 ( -16.315 -9.419 3.959) 19.250 1.930 ( -7.226 -4.172 -0.224) 8.347 2.267 ( -10.657 -6.153 -3.523) 12.800 2.537 ( 4.144 2.392 -5.088) 6.985 3.407 ( -17.062 -9.851 4.524) 20.215 4.552 ( 2.663 1.537 -0.644) 3.141 4.893 ( 4.059 2.344 -8.663) 9.850 5.520 ( -3.098 -1.788 0.585) 3.624 5.925 ( -0.707 -0.408 -0.259) 0.856 6.026 ( 9.775 5.644 -1.871) 11.442 7.246 ( 8.010 4.625 9.630) 13.352======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( -0.000 12.574 14.579) 19.252 0.758 ( -0.000 14.379 17.771) 22.859 1.167 ( -0.000 19.798 25.371) 32.181 1.785 ( 0.000 0.236 -7.217) 7.221 2.003 ( 0.000 16.307 -7.284) 17.860 2.848 ( 0.000 -9.220 -6.259) 11.143 4.726 ( 0.000 -3.247 -1.194) 3.460 4.825 ( -0.000 3.511 0.733) 3.587 5.712 ( -0.000 -8.209 10.464) 13.299 5.822 ( -0.000 1.061 0.521) 1.182 6.843 ( 0.000 -8.923 -0.995) 8.978 7.124 ( 0.000 16.816 -15.596) 22.935======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 3.700 13.238 10.330) 17.194 0.934 ( -0.161 16.164 13.459) 21.034 1.557 ( 12.602 13.735 16.257) 24.733 1.844 ( 8.540 1.750 -6.685) 10.986 2.176 ( 2.952 20.605 -8.011) 22.304 2.717 ( -2.276 -4.805 -6.168) 8.143 4.741 ( 1.422 -1.542 -1.988) 2.890 4.899 ( 7.677 1.157 1.601) 7.927 5.673 ( 0.007 -8.519 11.424) 14.251 5.881 ( 3.993 2.401 1.372) 4.857 6.685 ( -5.966 -12.184 -0.805) 13.591 7.131 ( -8.173 9.255 -16.519) 20.623======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 4.151 11.451 6.435) 13.775 1.161 ( 4.645 15.366 5.151) 16.859 1.822 ( 6.672 4.389 3.014) 8.536 2.052 ( 10.266 7.849 -0.791) 12.946 2.414 ( 6.745 11.946 -6.750) 15.289 2.736 ( 7.720 7.844 -2.967) 11.399 4.702 ( -3.804 0.072 -1.314) 4.025 5.094 ( 14.416 -2.175 0.975) 14.611 5.605 ( -1.853 -10.725 10.570) 15.171 5.977 ( 1.794 4.502 2.926) 5.661 6.437 ( -9.085 -11.839 0.150) 14.924 6.958 ( -12.669 3.936 -16.845) 21.442======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 7.596 9.688 1.530) 12.406 1.387 ( 5.147 13.073 0.035) 14.049 1.948 ( 4.801 2.637 -0.395) 5.492 2.286 ( 7.108 12.422 -1.467) 14.387 2.566 ( 7.207 2.378 -0.762) 7.627 3.058 ( 15.435 13.449 -1.919) 20.562 4.627 ( -4.384 -0.468 -0.494) 4.437 5.304 ( 14.177 -5.683 0.258) 15.276 5.464 ( -6.559 -10.250 6.734) 13.908 6.008 ( -3.249 1.315 0.219) 3.512 6.212 ( -8.936 -2.025 3.456) 9.792 6.718 ( -10.591 -1.377 -13.497) 17.212======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 6.699 6.497 0.673) 9.356 1.599 ( 8.013 11.837 -4.489) 14.982 2.037 ( 3.705 1.769 -0.537) 4.140 2.510 ( 5.832 12.288 -1.993) 13.746 2.714 ( 6.739 3.884 1.400) 7.903 3.413 ( 14.277 8.771 0.182) 16.757 4.551 ( -3.545 -1.511 0.793) 3.935 5.187 ( -11.848 -14.862 2.323) 19.148 5.480 ( 9.048 -0.893 -3.732) 9.828 5.937 ( -1.650 -1.911 -1.282) 2.832 6.110 ( -10.150 8.008 1.294) 12.994 6.535 ( -3.956 -5.522 -1.919) 7.059======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( 2.676 4.751 -0.222) 5.457 1.836 ( 9.908 8.330 -6.243) 14.371 2.099 ( 2.524 0.687 -0.666) 2.699 2.682 ( 4.543 6.801 -2.592) 8.580 2.850 ( 2.647 6.505 0.012) 7.023 3.687 ( 10.019 5.247 2.300) 11.541 4.488 ( -2.162 -2.690 2.114) 4.047 4.823 ( -16.441 -8.506 -2.598) 18.692 5.579 ( 5.982 -1.243 -5.658) 8.328 5.937 ( 0.063 1.993 -0.598) 2.082 6.044 ( -2.571 4.538 -0.584) 5.248 6.452 ( -2.152 -5.291 8.643) 10.360======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 0.272 3.335 -0.680) 3.414 2.015 ( 6.744 3.991 -6.035) 9.891 2.127 ( 1.128 -0.318 -1.600) 1.983 2.756 ( 1.927 -1.164 -5.011) 5.493 2.901 ( -4.331 7.090 -1.400) 8.425 3.827 ( 1.706 0.717 0.709) 1.981 4.453 ( 0.210 -1.053 2.010) 2.279 4.557 ( -8.992 1.188 -0.138) 9.072 5.618 ( 2.706 -1.075 -6.536) 7.155 5.927 ( -1.921 2.268 0.123) 2.975 6.123 ( 3.989 1.659 -1.068) 4.450 6.424 ( 1.226 -3.311 14.902) 15.315======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( -1.829 1.748 -0.516) 2.582 2.088 ( 1.151 0.207 -2.269) 2.553 2.126 ( 0.809 -1.053 -3.497) 3.741 2.670 ( -3.989 -7.633 -8.810) 12.320 2.846 ( -9.591 6.738 -0.848) 11.752 3.790 ( -3.202 -1.867 0.270) 3.716 4.475 ( 0.253 -0.147 2.659) 2.675 4.562 ( 3.149 8.663 -0.010) 9.217 5.614 ( 1.184 -1.883 -5.408) 5.848 5.937 ( -0.459 3.208 0.463) 3.273 6.085 ( -6.118 -2.978 -0.244) 6.808 6.589 ( 12.458 0.538 15.009) 19.514======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( -3.966 -0.347 0.282) 3.992 2.053 ( -3.936 -2.290 -0.919) 4.646 2.091 ( -2.717 -3.078 0.169) 4.109 2.495 ( -3.562 -4.946 -9.439) 11.236 2.703 ( -13.557 4.161 -1.249) 14.236 3.715 ( -3.823 -4.131 2.650) 6.221 4.503 ( 1.376 1.632 2.584) 3.351 4.715 ( 4.856 7.983 -4.529) 10.384 5.589 ( 0.014 -3.006 -3.252) 4.429 5.944 ( -4.972 -2.131 -0.194) 5.413 5.966 ( -1.313 4.176 -0.103) 4.379 6.868 ( 14.304 0.241 12.507) 19.002======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -6.676 -3.503 2.027) 7.807 1.866 ( -13.192 -5.447 0.491) 14.281 2.000 ( -5.075 -2.999 0.690) 5.935 2.419 ( -5.826 -0.715 -3.570) 6.870 2.511 ( -7.003 3.413 -4.320) 8.909 3.558 ( -10.322 -8.767 3.499) 13.988 4.566 ( 1.449 4.687 2.230) 5.389 4.816 ( 3.129 3.176 -7.880) 9.053 5.535 ( -1.597 -3.336 -0.449) 3.725 5.927 ( 4.710 1.568 -1.483) 5.181 5.980 ( -2.469 4.824 -0.266) 5.426 7.122 ( 12.530 -1.360 8.342) 15.115======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -0.000 16.184 7.370) 17.783 1.150 ( -0.000 14.874 13.601) 20.155 1.641 ( -0.000 14.509 15.166) 20.989 1.771 ( 0.000 4.298 -8.375) 9.413 2.347 ( 0.000 22.817 -9.328) 24.650 2.667 ( 0.000 -3.160 -5.603) 6.433 4.647 ( 0.000 -3.885 -1.113) 4.042 4.911 ( -0.000 3.867 3.056) 4.929 5.635 ( -0.000 -7.249 9.652) 12.071 5.856 ( -0.000 1.903 0.513) 1.971 6.593 ( 0.000 -15.956 -1.420) 16.019 7.251 ( 0.000 7.841 -14.110) 16.142======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 0.321 14.778 4.738) 15.522 1.307 ( -0.715 13.715 8.599) 16.204 1.793 ( 2.732 6.537 0.759) 7.125 1.946 ( 11.762 10.463 2.167) 15.890 2.443 ( -0.517 4.980 -11.322) 12.380 2.748 ( 3.516 18.488 -1.400) 18.871 4.678 ( 5.989 -2.922 -2.546) 7.134 4.942 ( 0.518 0.291 5.627) 5.659 5.580 ( -1.783 -6.899 6.810) 9.856 5.935 ( 5.886 1.830 1.565) 6.359 6.397 ( -3.297 -16.559 -0.992) 16.913 7.174 ( -10.837 5.203 -13.225) 17.873======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 0.925 12.152 2.970) 12.544 1.461 ( 1.946 12.570 1.777) 12.843 1.904 ( 3.773 4.494 -0.259) 5.873 2.265 ( 11.526 13.632 -0.760) 17.868 2.471 ( 5.185 1.275 -2.752) 6.007 3.022 ( 6.349 19.819 -2.178) 20.925 4.690 ( -2.318 -0.263 -2.383) 3.335 5.013 ( 10.003 -8.062 5.011) 13.791 5.493 ( -3.654 -4.742 2.550) 6.506 6.016 ( 0.494 -2.788 -0.870) 2.962 6.237 ( 1.556 -8.556 4.916) 9.990 6.933 ( -17.109 2.917 -12.657) 21.481======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 3.763 10.187 2.388) 11.120 1.615 ( 3.234 11.246 -2.411) 11.947 1.994 ( 3.337 2.461 -0.431) 4.169 2.498 ( 6.149 5.989 -4.581) 9.730 2.680 ( 9.613 13.640 5.426) 17.547 3.299 ( 9.365 12.347 -1.318) 15.552 4.611 ( -5.010 -1.320 0.210) 5.185 5.066 ( 5.956 -14.976 -1.233) 16.164 5.419 ( -1.395 0.577 -0.390) 1.559 5.930 ( -1.848 -4.237 -1.617) 4.897 6.291 ( 2.212 0.928 9.033) 9.346 6.616 ( -16.482 -0.926 -10.310) 19.463======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 2.426 7.533 1.828) 8.123 1.779 ( 5.722 9.911 -4.141) 12.170 2.059 ( 2.740 0.868 -0.565) 2.929 2.612 ( 5.765 0.206 -2.810) 6.417 2.963 ( 1.841 19.553 3.724) 19.989 3.563 ( 11.689 6.457 1.409) 13.428 4.516 ( -4.005 -3.198 1.807) 5.435 4.908 ( -5.819 -11.224 -7.202) 14.550 5.459 ( 4.520 0.112 -1.670) 4.819 5.914 ( 2.159 0.759 -0.533) 2.350 6.255 ( -14.403 5.592 -1.810) 15.556 6.419 ( 1.561 -7.472 6.101) 9.771======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -0.183 5.833 0.467) 5.854 1.942 ( 5.565 6.392 -4.449) 9.572 2.096 ( 1.700 -0.363 -0.906) 1.960 2.663 ( 3.482 -4.057 -3.639) 6.467 3.113 ( -5.886 16.998 2.258) 18.130 3.782 ( 6.644 3.145 1.934) 7.602 4.449 ( -0.891 -1.880 1.560) 2.600 4.696 ( -7.515 -1.919 -6.518) 10.131 5.523 ( 4.538 -1.536 -3.646) 6.020 5.976 ( 1.188 2.220 -0.589) 2.586 6.106 ( -3.610 2.166 -0.328) 4.223 6.412 ( 0.464 -5.723 10.955) 12.369======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( -2.331 4.184 -0.029) 4.789 2.044 ( 3.345 2.478 -4.180) 5.899 2.101 ( 0.298 -1.118 -1.476) 1.875 2.615 ( -1.012 -7.173 -5.038) 8.823 3.117 ( -11.210 12.852 1.621) 17.131 3.822 ( -2.065 -1.134 -0.127) 2.359 4.464 ( 1.186 -0.108 1.516) 1.927 4.633 ( -0.704 7.903 -3.241) 8.570 5.545 ( 2.357 -2.847 -4.382) 5.732 5.984 ( -0.748 3.302 0.755) 3.468 6.130 ( -0.820 -0.049 -0.792) 1.141 6.438 ( 7.053 -5.316 12.922) 15.652======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -4.425 1.794 0.137) 4.777 2.075 ( -1.261 -0.874 -0.949) 1.804 2.077 ( 0.625 -1.185 -3.083) 3.361 2.487 ( -3.906 -5.394 -4.761) 8.186 3.010 ( -15.100 9.522 0.853) 17.872 3.746 ( -3.931 -3.595 1.061) 5.431 4.482 ( 1.929 -0.715 1.861) 2.774 4.747 ( 2.127 11.585 -4.545) 12.625 5.531 ( 1.479 -3.841 -2.952) 5.065 6.025 ( -2.104 3.610 0.651) 4.229 6.033 ( -5.349 -0.276 -0.784) 5.414 6.629 ( 15.462 -5.298 10.601) 19.481======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( -6.575 -1.261 1.052) 6.777 1.989 ( -7.008 -3.078 -2.817) 8.156 2.041 ( -2.589 -1.749 0.203) 3.131 2.412 ( -0.015 0.706 -2.183) 2.295 2.810 ( -18.285 6.439 0.160) 19.386 3.624 ( -6.266 -6.606 1.984) 9.318 4.540 ( 4.720 0.072 2.309) 5.255 4.847 ( -0.865 9.900 -6.874) 12.083 5.504 ( 0.650 -3.992 -1.050) 4.179 5.912 ( -3.083 -0.798 -0.471) 3.219 6.071 ( -1.675 6.175 -0.202) 6.401 6.867 ( 16.119 -6.700 6.006) 18.460======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -0.000 15.324 1.157) 15.367 1.438 ( -0.000 7.347 5.686) 9.290 1.889 ( 0.000 13.253 -3.795) 13.786 1.917 ( -0.000 7.395 6.692) 9.973 2.416 ( 0.000 -1.518 -9.562) 9.682 2.949 ( 0.000 26.939 -2.396) 27.046 4.578 ( 0.000 -2.610 -0.325) 2.630 4.988 ( -0.000 -0.044 7.431) 7.431 5.560 ( -0.000 -5.481 5.153) 7.523 5.894 ( -0.000 1.608 0.363) 1.649 6.249 ( 0.000 -17.690 -2.247) 17.832 7.265 ( 0.000 2.793 -11.804) 12.130======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( -1.424 10.501 -0.248) 10.600 1.535 ( 2.399 8.581 0.276) 8.915 1.935 ( -1.217 6.683 0.829) 6.843 2.174 ( 12.630 12.542 -0.948) 17.824 2.407 ( 2.681 1.000 -1.710) 3.333 3.189 ( -0.257 24.247 -3.116) 24.448 4.616 ( 5.992 -1.917 -1.833) 6.553 4.954 ( -4.170 -5.031 9.741) 11.730 5.509 ( -2.001 -3.160 0.907) 3.849 5.956 ( 3.587 -0.964 0.132) 3.717 6.094 ( 2.646 -12.629 0.036) 12.903 7.156 ( -10.508 1.198 -11.051) 15.297======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 1.854 8.425 0.895) 8.673 1.661 ( 2.677 9.343 -2.972) 10.163 1.984 ( 1.060 3.428 0.099) 3.590 2.423 ( 5.777 3.859 -3.205) 7.652 2.619 ( 15.626 13.382 6.074) 21.451 3.373 ( -0.542 17.823 -2.528) 18.009 4.659 ( -0.064 -1.183 -2.762) 3.005 4.858 ( 0.597 -11.693 5.365) 12.879 5.454 ( -2.180 -0.231 -1.274) 2.535 5.909 ( -1.120 -4.247 -1.044) 4.515 6.170 ( 9.770 -4.092 5.039) 11.730 6.893 ( -17.297 0.445 -9.742) 19.857======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 3.253 7.432 2.374) 8.453 1.786 ( 3.535 8.941 -3.697) 10.301 2.032 ( 1.622 1.623 -0.154) 2.300 2.516 ( 4.462 0.009 -0.486) 4.488 3.062 ( 14.396 18.794 6.198) 24.472 3.507 ( 1.897 10.601 -1.134) 10.829 4.571 ( -5.753 -3.869 2.013) 7.219 4.783 ( 2.704 -11.118 -7.081) 13.456 5.434 ( -0.269 0.918 -0.281) 0.997 5.894 ( 1.212 1.195 -0.336) 1.735 6.289 ( 7.330 -5.912 5.769) 11.044 6.566 ( -18.617 1.042 -6.286) 19.677======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( 0.899 6.431 1.433) 6.650 1.920 ( 4.026 6.891 -2.504) 8.364 2.065 ( 1.419 0.243 -0.372) 1.487 2.562 ( 3.055 -3.300 -1.079) 4.624 3.388 ( -2.329 20.067 5.159) 20.850 3.677 ( 10.433 4.514 1.478) 11.463 4.460 ( -2.821 -3.004 1.030) 4.247 4.690 ( -0.020 -5.655 -9.973) 11.465 5.450 ( 1.734 -0.531 -0.226) 1.827 5.952 ( 2.751 3.040 -0.547) 4.137 6.238 ( -8.503 -4.652 -1.435) 9.798 6.387 ( -1.404 -1.162 5.855) 6.132======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( -1.947 5.627 0.769) 6.004 2.014 ( 2.435 3.087 -2.349) 4.580 2.080 ( 0.741 -0.582 -0.571) 1.102 2.544 ( 0.616 -5.346 -2.210) 5.817 3.443 ( -10.484 13.948 4.144) 17.935 3.826 ( 1.709 0.595 0.320) 1.838 4.454 ( 0.887 0.954 1.196) 1.768 4.658 ( 3.105 3.460 -8.433) 9.630 5.468 ( 2.095 -2.540 -1.499) 3.618 6.002 ( 1.221 0.316 0.446) 1.338 6.134 ( -0.799 1.003 0.452) 1.360 6.366 ( -0.243 -5.457 7.056) 8.923======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -4.855 3.335 0.700) 5.931 2.048 ( 0.999 -0.103 -2.351) 2.556 2.078 ( -0.098 -0.259 -0.594) 0.655 2.480 ( -1.726 -3.582 -1.859) 4.390 3.362 ( -14.386 9.925 3.695) 17.864 3.783 ( -3.949 -2.728 -0.380) 4.815 4.458 ( 0.228 -1.093 0.847) 1.402 4.791 ( 4.546 11.171 -6.947) 13.918 5.459 ( 1.468 -3.756 -1.546) 4.319 6.056 ( 3.075 3.419 0.775) 4.664 6.118 ( -4.379 -0.463 -1.053) 4.528 6.377 ( 8.468 -8.228 8.101) 14.319======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -6.887 0.288 1.024) 6.969 2.030 ( -2.072 -0.977 -2.917) 3.709 2.063 ( -1.374 -0.274 -0.189) 1.414 2.437 ( -1.256 1.588 0.710) 2.145 3.182 ( -17.960 5.706 3.251) 19.123 3.671 ( -5.468 -3.950 0.495) 6.764 4.472 ( 2.757 -1.196 0.601) 3.065 4.921 ( 1.571 9.774 -7.306) 12.304 5.446 ( 1.414 -3.021 -0.384) 3.358 5.994 ( -7.313 -1.090 -0.838) 7.441 6.138 ( 0.665 5.460 0.183) 5.503 6.525 ( 16.280 -10.356 4.408) 19.792======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( 0.000 2.966 -0.789) 3.069 1.582 ( 0.000 11.156 -5.645) 12.503 2.008 ( 0.000 1.507 -1.781) 2.332 2.180 ( -0.000 16.149 0.813) 16.169 2.405 ( -0.000 3.008 3.198) 4.390 3.410 ( 0.000 21.982 -3.998) 22.343 4.549 ( -0.000 -0.506 0.535) 0.736 4.977 ( -0.000 -8.509 11.640) 14.418 5.499 ( 0.000 -2.030 -1.317) 2.420 5.917 ( 0.000 0.677 -0.030) 0.678 5.955 ( 0.000 -9.866 -1.565) 9.989 7.208 ( 0.000 -1.053 -10.676) 10.728======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 1.601 4.110 -0.953) 4.512 1.678 ( 2.883 7.623 -6.775) 10.598 2.010 ( -0.268 2.258 -0.524) 2.334 2.390 ( 4.577 9.376 0.385) 10.441 2.520 ( 9.609 8.144 6.294) 14.081 3.565 ( -2.035 16.734 -3.175) 17.153 4.583 ( 3.599 -0.650 -1.050) 3.805 4.854 ( -6.110 -11.940 9.108) 16.213 5.473 ( -1.009 0.077 -2.528) 2.723 5.887 ( -0.268 -1.994 -0.169) 2.019 5.993 ( 7.833 -1.733 1.121) 8.100 7.077 ( -9.323 -2.148 -10.047) 13.873======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 4.589 4.706 1.019) 6.651 1.784 ( 4.309 6.425 -5.136) 9.286 2.034 ( 0.425 1.947 0.254) 2.009 2.484 ( 1.245 2.581 2.999) 4.148 2.908 ( 20.555 11.854 4.528) 24.156 3.652 ( -3.029 12.463 -1.262) 12.887 4.613 ( 1.286 -1.770 -2.755) 3.518 4.653 ( -5.507 -11.469 2.853) 13.039 5.455 ( -1.062 0.974 -1.077) 1.800 5.897 ( 0.682 3.084 0.013) 3.158 6.116 ( 8.617 -3.871 2.487) 9.768 6.821 ( -14.846 -2.009 -8.075) 17.019======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( 4.358 4.274 0.898) 6.169 1.906 ( 4.428 5.503 -1.980) 7.336 2.056 ( 0.447 0.960 0.133) 1.067 2.512 ( 0.301 -0.939 1.987) 2.218 3.392 ( 21.457 10.455 4.638) 24.315 3.700 ( -3.768 9.438 0.690) 10.186 4.485 ( -4.066 -4.784 0.290) 6.285 4.594 ( 0.790 -4.004 -5.353) 6.732 5.446 ( -0.741 0.263 0.159) 0.802 5.954 ( 1.278 4.618 -0.674) 4.839 6.190 ( 4.118 -5.771 1.785) 7.310 6.541 ( -13.366 -0.920 -3.639) 13.883======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 2.065 4.646 0.355) 5.097 1.995 ( 1.999 1.912 -0.495) 2.810 2.069 ( 0.425 0.274 -0.069) 0.511 2.494 ( -0.237 -2.973 0.132) 2.985 3.706 ( -5.709 6.542 2.608) 9.066 3.754 ( 10.118 3.905 1.693) 10.977 4.467 ( 0.882 4.051 1.762) 4.505 4.562 ( 4.029 -1.723 -7.104) 8.346 5.434 ( -0.315 -1.192 0.266) 1.261 5.994 ( -0.436 1.205 -1.052) 1.657 6.158 ( -1.234 -2.290 0.598) 2.669 6.380 ( -4.620 -2.351 1.243) 5.330======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( -3.496 3.778 0.813) 5.211 2.015 ( 1.875 -1.405 -0.924) 2.519 2.075 ( 0.169 0.230 -0.223) 0.362 2.466 ( -0.124 -1.341 -0.522) 1.444 3.642 ( -8.800 2.407 3.653) 9.827 3.818 ( -1.952 -0.151 -0.856) 2.137 4.463 ( -1.566 -0.816 0.778) 1.930 4.746 ( 10.048 10.120 -5.792) 15.392 5.414 ( 0.074 -2.097 -0.069) 2.100 5.992 ( 3.156 -1.559 0.984) 3.656 6.153 ( -0.308 0.796 -0.322) 0.912 6.297 ( -2.367 -4.904 2.565) 6.019======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( -6.256 -0.684 0.901) 6.357 2.037 ( 0.425 1.173 -1.089) 1.656 2.077 ( -0.336 0.298 -0.235) 0.507 2.471 ( 0.156 2.676 0.895) 2.826 3.476 ( -12.600 -3.013 4.379) 13.675 3.749 ( -5.862 1.223 -0.243) 5.993 4.442 ( -0.167 -0.740 0.147) 0.773 4.923 ( 3.975 5.824 -7.305) 10.153 5.414 ( 1.055 0.799 0.462) 1.401 6.091 ( 0.625 -0.061 -3.394) 3.452 6.112 ( 3.149 0.134 1.048) 3.321 6.254 ( 3.294 -7.559 4.506) 9.396======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 0.000 2.363 -1.393) 2.743 1.687 ( 0.000 5.560 -8.050) 9.784 2.030 ( -0.000 2.053 0.322) 2.078 2.465 ( -0.000 12.506 1.031) 12.548 2.516 ( -0.000 3.450 7.713) 8.449 3.707 ( 0.000 11.438 -2.772) 11.769 4.558 ( -0.000 0.849 0.394) 0.936 4.809 ( -0.000 -14.377 7.226) 16.091 5.478 ( 0.000 1.117 -2.263) 2.524 5.892 ( -0.000 2.910 0.719) 2.997 5.920 ( 0.000 -0.103 -0.429) 0.441 7.091 ( 0.000 -3.838 -10.384) 11.071======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.628 ( 3.877 2.535 -0.210) 4.637 1.746 ( 3.735 4.751 -4.578) 7.581 2.051 ( -0.037 1.764 0.983) 2.020 2.532 ( -1.264 3.688 5.027) 6.361 2.718 ( 13.966 7.892 3.372) 16.392 3.777 ( -0.998 7.029 -1.087) 7.182 4.569 ( 0.124 -0.556 -1.072) 1.214 4.659 ( -3.921 -10.604 3.175) 11.743 5.479 ( -0.798 1.358 -0.779) 1.757 5.927 ( 0.557 3.659 -0.105) 3.703 5.983 ( 5.172 1.411 1.046) 5.462 6.951 ( -7.844 -3.945 -9.757) 13.126======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 5.777 1.954 -0.081) 6.099 1.862 ( 5.436 4.445 -0.508) 7.041 2.065 ( -0.182 0.893 0.841) 1.240 2.539 ( -2.039 0.259 4.157) 4.638 3.101 ( 22.130 5.518 2.371) 22.931 3.809 ( -1.138 3.762 0.454) 3.956 4.501 ( -3.107 -3.181 -1.361) 4.650 4.574 ( -1.401 -1.840 0.317) 2.334 5.470 ( -1.405 0.777 0.317) 1.637 5.979 ( 1.435 3.587 -0.754) 3.937 6.081 ( 4.564 0.135 1.210) 4.724 6.719 ( -12.078 -2.784 -7.614) 14.547======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 5.831 1.205 -0.527) 5.978 1.978 ( 3.397 2.624 1.090) 4.429 2.069 ( -0.201 0.172 0.484) 0.551 2.501 ( -2.476 -1.848 2.061) 3.714 3.501 ( 20.278 0.103 -1.315) 20.321 3.813 ( -1.387 0.740 1.578) 2.228 4.483 ( 1.625 2.615 -1.514) 3.431 4.537 ( -1.907 1.467 2.873) 3.748 5.448 ( -1.815 -0.201 0.614) 1.926 6.022 ( -0.035 2.627 -1.493) 3.022 6.132 ( 1.795 -0.837 0.640) 2.081 6.482 ( -10.585 -1.974 -4.300) 11.595======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 4.950 -0.897 -0.762) 5.088 2.006 ( -1.785 0.720 0.812) 2.089 2.073 ( 0.350 0.205 0.242) 0.472 2.462 ( -0.500 -0.557 0.353) 0.828 3.679 ( 3.787 -5.530 -3.877) 7.744 3.807 ( 1.907 -1.487 1.524) 2.858 4.472 ( -0.570 -2.174 -0.926) 2.431 4.692 ( 7.318 12.032 5.074) 14.969 5.414 ( -1.523 -0.812 0.058) 1.726 6.003 ( -3.770 2.111 -1.241) 4.496 6.148 ( 1.105 -0.588 0.685) 1.427 6.320 ( -5.185 -3.258 -2.017) 6.447======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -2.766 -4.790 -0.000) 5.531 2.035 ( 1.836 3.179 -0.000) 3.671 2.080 ( 0.222 0.385 0.000) 0.445 2.484 ( 1.672 2.895 -0.000) 3.343 3.562 ( -5.822 -10.083 -0.000) 11.643 3.826 ( -0.051 -0.088 -0.000) 0.102 4.448 ( -0.467 -0.809 -0.000) 0.934 4.893 ( 2.812 4.871 0.000) 5.624 5.416 ( 1.845 3.195 -0.000) 3.690 5.980 ( 0.548 0.950 -0.000) 1.096 6.154 ( -0.402 -0.696 -0.000) 0.804 6.219 ( -2.333 -4.042 0.000) 4.667======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 0.000 1.801 -0.265) 1.820 1.751 ( 0.000 5.076 -0.056) 5.077 2.070 ( -0.000 1.000 1.389) 1.712 2.604 ( -0.000 0.074 7.519) 7.519 2.656 ( -0.000 6.731 0.801) 6.778 3.824 ( 0.000 2.349 -0.151) 2.354 4.572 ( 0.000 0.492 -1.150) 1.251 4.598 ( -0.000 -8.502 0.269) 8.506 5.499 ( -0.000 1.326 0.492) 1.414 5.913 ( 0.000 -0.120 -0.500) 0.514 6.016 ( -0.000 7.350 1.299) 7.464 6.945 ( 0.000 -3.502 -10.508) 11.076======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 3.985 1.049 -0.034) 4.121 1.837 ( 3.162 5.203 3.875) 7.217 2.078 ( -0.186 0.165 1.348) 1.371 2.589 ( -2.287 -1.463 5.230) 5.893 2.836 ( 14.092 2.305 1.880) 14.402 3.831 ( -0.088 -0.337 0.287) 0.451 4.518 ( -1.964 -1.551 -1.803) 3.084 4.572 ( 0.021 -0.973 -0.840) 1.286 5.504 ( -1.133 1.007 1.411) 2.071 5.940 ( 3.085 0.046 -0.558) 3.136 6.083 ( 0.482 4.173 1.216) 4.374 6.831 ( -6.927 -0.720 -9.915) 12.117======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 5.684 -0.256 -0.403) 5.704 1.954 ( 3.401 3.618 4.333) 6.590 2.076 ( -0.329 -0.364 1.013) 1.126 2.533 ( -2.979 -3.515 3.054) 5.528 3.136 ( 20.359 -2.487 -0.343) 20.514 3.819 ( -0.323 -1.793 0.095) 1.825 4.492 ( -1.178 0.824 -1.212) 1.881 4.578 ( 1.236 2.906 2.100) 3.793 5.488 ( -2.277 0.426 1.659) 2.849 6.001 ( 3.685 0.975 -0.885) 3.913 6.112 ( 0.719 -0.772 0.922) 1.401 6.653 ( -11.735 2.474 -8.198) 14.527======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( 5.587 -2.479 -0.878) 6.175 2.023 ( 0.708 0.766 2.575) 2.778 2.072 ( 0.053 -0.140 0.567) 0.587 2.467 ( -1.283 -2.420 0.817) 2.858 3.402 ( 17.198 -7.570 -4.353) 19.288 3.780 ( -1.046 -4.192 0.246) 4.327 4.466 ( -1.335 -0.642 -0.753) 1.662 4.719 ( 6.021 9.150 7.632) 13.350 5.448 ( -3.003 -0.298 0.839) 3.132 6.063 ( 1.414 3.184 -0.602) 3.536 6.108 ( 1.603 -3.683 0.783) 4.092 6.447 ( -13.133 2.909 -6.219) 14.819======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.638 ( -0.000 0.688 0.793) 1.050 1.887 ( -0.000 6.002 8.002) 10.003 2.082 ( -0.000 -0.620 1.526) 1.647 2.602 ( -0.000 -5.157 6.126) 8.007 2.727 ( -0.000 0.018 0.977) 0.977 3.821 ( 0.000 -1.538 -0.203) 1.552 4.523 ( 0.000 1.100 -1.812) 2.120 4.556 ( 0.000 -0.657 -2.907) 2.980 5.530 ( -0.000 0.968 2.441) 2.626 5.913 ( 0.000 0.421 -0.303) 0.519 6.102 ( -0.000 -0.904 1.048) 1.384 6.872 ( 0.000 4.214 -10.424) 11.244======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 3.036 -0.484 0.613) 3.135 1.978 ( 0.833 4.739 8.197) 9.505 2.076 ( -0.136 -1.253 1.352) 1.848 2.539 ( -2.005 -6.757 3.930) 8.070 2.825 ( 12.564 -4.380 1.030) 13.346 3.803 ( -0.227 -1.789 -0.943) 2.035 4.524 ( -1.502 1.330 -1.836) 2.719 4.568 ( 2.625 2.721 -0.632) 3.834 5.534 ( -1.589 0.669 2.846) 3.327 5.946 ( 3.218 0.920 -0.363) 3.367 6.074 ( 0.460 -5.695 0.638) 5.749 6.839 ( -7.337 8.156 -9.542) 14.540======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 4.199 -2.710 -0.195) 5.002 2.035 ( -0.164 0.339 5.244) 5.257 2.067 ( 0.143 -0.906 0.800) 1.218 2.455 ( -1.185 -5.281 1.621) 5.650 3.020 ( 17.276 -8.568 -1.199) 19.321 3.758 ( -1.619 -4.408 -1.406) 4.902 4.499 ( -2.256 1.504 -1.454) 3.076 4.700 ( 7.166 6.298 4.890) 10.720 5.505 ( -3.290 -0.068 2.205) 3.961 6.024 ( 2.328 -4.306 1.110) 5.019 6.033 ( 4.102 -0.677 -0.977) 4.271 6.720 ( -13.624 9.121 -7.776) 18.146======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( -0.000 -1.128 0.817) 1.393 2.049 ( -0.000 3.184 9.161) 9.698 2.066 ( -0.000 -1.690 1.107) 2.020 2.493 ( -0.000 -8.893 4.674) 10.047 2.667 ( -0.000 -6.941 1.298) 7.062 3.787 ( 0.000 -1.527 -1.791) 2.354 4.521 ( 0.000 -0.520 -3.044) 3.088 4.592 ( -0.000 6.012 0.141) 6.013 5.565 ( -0.000 0.470 3.418) 3.450 5.923 ( 0.000 0.633 -0.160) 0.653 6.004 ( -0.000 -7.768 0.342) 7.775 6.964 ( 0.000 10.883 -9.688) 14.570======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 1.853 -2.961 0.061) 3.494 2.035 ( -0.103 -4.859 3.084) 5.756 2.078 ( -1.321 -0.545 2.657) 3.017 2.425 ( -0.740 -5.374 4.416) 6.995 2.691 ( 11.146 -10.008 1.151) 15.024 3.741 ( -1.972 -4.565 -2.518) 5.574 4.529 ( 0.941 1.841 -2.768) 3.454 4.673 ( 3.065 5.962 3.828) 7.720 5.559 ( -2.134 -0.492 2.877) 3.616 5.942 ( 0.639 -6.078 0.345) 6.121 5.966 ( 4.201 1.073 -0.018) 4.336 6.973 ( -7.876 11.073 -8.892) 16.239======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 0.000 -4.186 -0.713) 4.246 1.975 ( -0.000 -10.120 2.034) 10.323 2.065 ( 0.000 -5.270 -1.680) 5.531 2.430 ( -0.000 0.121 8.229) 8.229 2.491 ( -0.000 -12.105 1.998) 12.269 3.696 ( 0.000 -7.833 -3.504) 8.581 4.512 ( 0.000 1.231 -1.336) 1.816 4.735 ( -0.000 7.035 4.117) 8.151 5.575 ( -0.000 -2.031 2.319) 3.083 5.907 ( -0.000 -0.539 1.037) 1.168 5.931 ( 0.000 0.124 -0.042) 0.131 7.115 ( 0.000 10.948 -9.548) 14.527======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( -0.000 0.000 20.941) 20.941 0.639 ( -0.000 0.000 20.941) 20.941 1.044 ( -0.000 0.000 34.237) 34.237 1.786 ( 0.000 -0.000 -6.703) 6.703 1.786 ( 0.000 -0.000 -6.703) 6.703 2.946 ( 0.000 -0.000 -11.436) 11.436 4.767 ( 0.000 -0.000 -0.776) 0.776 4.767 ( 0.000 -0.000 -0.776) 0.776 5.821 ( -0.000 0.000 0.832) 0.832 5.821 ( -0.000 0.000 0.832) 0.832 6.858 ( -0.000 0.000 0.628) 0.628 6.934 ( 0.000 -0.000 -0.705) 0.705======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( 6.148 3.549 16.561) 18.018 0.792 ( 3.862 2.230 20.786) 21.259 1.377 ( 17.260 9.965 24.563) 31.632 1.840 ( 4.520 2.610 -5.860) 7.847 1.840 ( 8.587 4.957 -10.667) 14.563 2.791 ( -7.337 -4.236 -8.988) 12.352 4.760 ( -1.283 -0.741 -0.828) 1.697 4.841 ( 7.724 4.459 -1.737) 9.086 5.817 ( -0.032 -0.018 8.999) 8.999 5.853 ( 1.822 1.052 0.840) 2.265 6.842 ( -7.059 -4.076 -0.868) 8.197 6.938 ( 2.172 1.254 -11.468) 11.739======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( 5.394 3.114 13.718) 15.066 0.970 ( 9.681 5.589 10.267) 15.178 1.747 ( 9.050 5.225 7.422) 12.818 1.948 ( 6.847 3.953 -4.675) 9.185 2.123 ( 19.400 11.201 -4.475) 22.844 2.671 ( 0.081 0.047 -6.863) 6.863 4.711 ( -2.715 -1.568 -1.113) 3.327 5.048 ( 10.740 6.201 -2.325) 12.618 5.839 ( -2.855 -1.649 17.079) 17.394 5.897 ( 1.694 0.978 0.515) 2.023 6.616 ( -12.440 -7.182 -2.137) 14.522 6.860 ( -3.963 -2.288 -16.862) 17.472======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 8.765 5.060 4.184) 10.951 1.209 ( 9.284 5.360 5.323) 11.969 1.895 ( 5.092 2.940 -0.716) 5.923 2.111 ( 9.113 5.261 -3.252) 11.013 2.480 ( 10.570 6.103 -1.368) 12.282 2.825 ( 16.140 9.319 -2.506) 18.805 4.642 ( -3.037 -1.753 -1.008) 3.649 5.268 ( 9.529 5.502 -3.247) 11.472 5.768 ( -9.484 -5.476 18.154) 21.202 5.924 ( 0.650 0.375 0.048) 0.752 6.308 ( -13.418 -7.747 -6.046) 16.632 6.708 ( -4.602 -2.657 -11.542) 12.707======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 12.694 7.329 -2.065) 14.802 1.403 ( 7.199 4.157 1.934) 8.535 1.994 ( 4.257 2.458 -1.051) 5.027 2.319 ( 10.264 5.926 -2.058) 12.029 2.647 ( 6.674 3.853 -1.489) 7.850 3.227 ( 18.026 10.407 0.402) 20.819 4.577 ( -2.628 -1.517 -0.087) 3.036 5.399 ( -2.412 -1.393 0.791) 2.896 5.545 ( -9.014 -5.204 2.919) 10.810 5.926 ( -0.354 -0.204 -0.232) 0.470 6.046 ( -7.305 -4.217 -6.155) 10.441 6.605 ( -3.221 -1.860 0.564) 3.762======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 4.895 2.826 0.018) 5.653 1.653 ( 13.302 7.680 -5.518) 16.321 2.073 ( 3.062 1.768 -0.837) 3.633 2.531 ( 9.108 5.258 -1.461) 10.618 2.774 ( 5.220 3.014 -3.059) 6.759 3.575 ( 12.812 7.397 2.446) 14.995 4.528 ( -1.983 -1.145 1.512) 2.744 5.037 ( -21.215 -12.249 -0.167) 24.498 5.562 ( 3.579 2.066 -6.852) 8.002 5.913 ( -0.652 -0.376 -0.155) 0.769 5.970 ( 1.553 0.896 -2.586) 3.147 6.555 ( -3.243 -1.872 9.810) 10.500======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 2.766 1.597 -0.829) 3.300 1.894 ( 10.158 5.865 -7.424) 13.881 2.118 ( 1.316 0.760 -1.394) 2.062 2.692 ( 5.490 3.170 -1.313) 6.474 2.836 ( 1.273 0.735 -6.479) 6.644 3.793 ( 5.758 3.325 1.900) 6.915 4.499 ( -1.377 -0.795 3.080) 3.466 4.616 ( -14.450 -8.343 -0.900) 16.710 5.599 ( 1.833 1.058 -6.562) 6.894 5.902 ( -0.210 -0.121 0.157) 0.289 6.065 ( 6.171 3.563 -1.472) 7.276 6.523 ( -2.758 -1.592 15.000) 15.334======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( 0.735 0.424 -0.975) 1.293 2.043 ( 5.410 3.123 -6.465) 8.990 2.123 ( -0.043 -0.025 -2.721) 2.722 2.751 ( 0.055 0.032 -1.335) 1.337 2.766 ( -5.451 -3.147 -9.721) 11.580 3.820 ( -2.310 -1.333 -0.197) 2.674 4.480 ( 1.452 0.838 2.312) 2.856 4.487 ( -0.726 -0.419 3.720) 3.814 5.607 ( 0.873 0.504 -5.621) 5.711 5.906 ( 0.443 0.256 0.407) 0.654 6.126 ( -1.984 -1.145 -1.340) 2.654 6.598 ( 6.087 3.514 16.525) 17.957======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( -1.305 -0.753 -0.530) 1.597 2.078 ( -1.340 -0.774 -1.314) 2.030 2.117 ( 0.434 0.251 -4.450) 4.478 2.565 ( -8.288 -4.785 -9.890) 13.762 2.681 ( -5.913 -3.414 -1.460) 6.983 3.770 ( -2.166 -1.250 1.828) 3.097 4.491 ( 0.127 0.073 3.003) 3.006 4.595 ( 6.847 3.953 -0.538) 7.925 5.603 ( 0.083 0.048 -4.365) 4.366 5.921 ( 0.638 0.368 0.362) 0.821 6.007 ( -6.791 -3.921 -0.204) 7.844 6.850 ( 10.728 6.194 13.465) 18.297======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( -0.000 7.789 16.798) 18.516 0.934 ( -0.000 12.138 18.199) 21.875 1.419 ( -0.000 13.797 26.094) 29.517 1.706 ( 0.000 -0.134 -9.080) 9.081 1.926 ( 0.000 16.061 -8.681) 18.257 2.764 ( 0.000 -7.812 -10.842) 13.363 4.716 ( 0.000 -3.397 -0.824) 3.496 4.828 ( 0.000 4.679 -0.075) 4.680 5.804 ( -0.000 -4.926 8.416) 9.752 5.829 ( -0.000 0.963 0.836) 1.275 6.833 ( 0.000 -8.920 -1.094) 8.987 6.998 ( 0.000 11.577 -10.646) 15.727======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 3.022 9.606 12.048) 15.702 1.081 ( -2.441 12.597 16.161) 20.636 1.691 ( 6.207 5.990 6.886) 11.038 1.790 ( 12.049 5.442 -0.577) 13.234 2.097 ( 3.598 20.621 -7.683) 22.298 2.645 ( -1.161 -3.083 -8.688) 9.291 4.722 ( 1.659 -2.211 -1.764) 3.279 4.908 ( 6.308 3.492 0.333) 7.218 5.777 ( 0.588 -8.744 9.132) 12.657 5.905 ( 5.299 2.071 4.053) 6.985 6.676 ( -5.717 -12.184 -1.117) 13.505 6.977 ( -9.423 9.063 -14.664) 19.646======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 2.410 8.596 7.473) 11.643 1.230 ( 1.381 12.604 8.726) 15.392 1.825 ( 6.081 3.108 -1.832) 7.071 2.041 ( 8.260 9.319 -2.296) 12.663 2.367 ( 9.677 10.123 -2.509) 14.227 2.703 ( 8.680 10.247 -3.730) 13.938 4.687 ( -3.202 -0.240 -1.673) 3.621 5.093 ( 12.575 0.268 -0.970) 12.615 5.702 ( -0.645 -13.847 8.714) 16.373 6.015 ( 1.869 2.797 5.046) 6.064 6.436 ( -9.209 -9.522 -0.320) 13.250 6.802 ( -12.532 4.836 -14.553) 19.805======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 5.603 9.410 2.811) 11.307 1.402 ( 3.231 10.523 2.805) 11.359 1.939 ( 4.785 2.917 -1.167) 5.724 2.261 ( 7.430 12.440 -3.704) 14.956 2.559 ( 7.841 3.939 -0.945) 8.826 3.047 ( 16.243 13.447 -0.229) 21.088 4.620 ( -3.797 -0.193 -0.835) 3.892 5.287 ( 12.326 -2.640 -2.916) 12.938 5.528 ( -6.263 -16.535 5.525) 18.525 6.005 ( -3.981 -2.298 -0.764) 4.660 6.235 ( -12.678 5.625 0.192) 13.871 6.625 ( -4.751 -2.536 -4.283) 6.881======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 6.052 7.090 1.748) 9.484 1.564 ( 5.857 10.529 -2.502) 12.305 2.030 ( 3.741 1.927 -0.899) 4.303 2.485 ( 6.616 11.329 -2.916) 13.440 2.715 ( 5.461 6.250 -1.355) 8.410 3.424 ( 15.281 8.842 2.089) 17.778 4.559 ( -2.869 -0.949 0.725) 3.108 5.188 ( -12.207 -18.941 -2.304) 22.651 5.443 ( 6.852 0.568 -3.278) 7.617 5.923 ( -1.057 -1.681 -1.527) 2.504 6.097 ( -12.001 9.441 -3.236) 15.609 6.572 ( 0.740 -5.480 8.839) 10.426======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( 1.823 4.914 0.300) 5.250 1.779 ( 8.701 8.599 -5.291) 13.328 2.090 ( 2.331 0.683 -1.167) 2.695 2.653 ( 4.943 5.056 -3.268) 7.789 2.836 ( 0.602 9.320 -2.769) 9.741 3.712 ( 9.905 5.063 2.788) 11.468 4.511 ( -1.676 -2.502 2.456) 3.886 4.788 ( -15.206 -10.179 -4.359) 18.810 5.527 ( 4.653 -0.406 -4.602) 6.557 5.932 ( 0.259 1.874 -0.453) 1.945 6.030 ( -1.544 5.061 -1.908) 5.625 6.565 ( -0.233 -5.338 13.631) 14.641======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( -0.055 3.574 -0.555) 3.617 1.952 ( 6.583 5.033 -6.767) 10.698 2.110 ( 0.579 -0.355 -1.777) 1.903 2.703 ( 1.063 -3.095 -5.877) 6.726 2.882 ( -5.598 10.487 -2.430) 12.133 3.832 ( 0.570 0.198 0.300) 0.674 4.474 ( 0.032 -1.759 2.398) 2.974 4.558 ( -5.793 0.624 0.385) 5.839 5.562 ( 2.350 -0.717 -4.802) 5.394 5.930 ( -1.567 2.418 0.377) 2.906 6.110 ( 3.407 1.943 -1.461) 4.185 6.574 ( 2.846 -3.912 15.401) 16.143======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( -1.785 2.068 -0.660) 2.810 2.050 ( 3.941 1.945 -5.962) 7.406 2.094 ( -0.821 -1.051 -2.471) 2.808 2.592 ( -5.177 -6.763 -6.930) 10.980 2.836 ( -9.984 7.892 -1.165) 12.780 3.795 ( -2.302 -1.478 0.727) 2.831 4.502 ( 1.010 -0.451 2.581) 2.808 4.564 ( 2.113 6.198 0.298) 6.556 5.568 ( 1.443 -1.347 -4.092) 4.543 5.942 ( -0.606 3.201 0.486) 3.294 6.080 ( -5.591 -2.668 -0.612) 6.225 6.727 ( 11.837 -0.848 13.131) 17.699======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( -0.000 11.850 9.508) 15.193 1.283 ( -0.000 11.857 13.225) 17.762 1.686 ( 0.000 5.520 -8.795) 10.384 1.783 ( -0.000 9.666 13.280) 16.425 2.247 ( 0.000 19.467 -10.447) 22.093 2.607 ( 0.000 2.154 -6.610) 6.952 4.640 ( 0.000 -3.835 -0.357) 3.852 4.938 ( -0.000 5.824 2.260) 6.247 5.739 ( -0.000 -8.760 11.695) 14.613 5.863 ( -0.000 1.754 0.863) 1.955 6.577 ( 0.000 -16.271 -1.896) 16.381 7.109 ( 0.000 8.595 -14.751) 17.073======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( 0.270 11.271 4.889) 12.288 1.391 ( -1.842 9.383 7.989) 12.460 1.776 ( 3.895 8.276 -2.496) 9.481 1.978 ( 8.798 8.501 2.209) 12.432 2.345 ( 2.225 6.212 -7.755) 10.182 2.728 ( 3.408 19.436 -2.752) 19.923 4.658 ( 4.599 -2.966 -1.590) 5.699 4.990 ( 0.398 3.129 4.138) 5.203 5.653 ( -3.033 -9.654 7.780) 12.765 5.958 ( 6.757 0.736 3.245) 7.532 6.387 ( -1.864 -16.418 -1.027) 16.555 7.037 ( -11.042 6.661 -14.596) 19.476======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 1.379 10.527 1.738) 10.758 1.488 ( 0.570 9.282 3.258) 9.853 1.902 ( 3.378 5.172 0.189) 6.180 2.234 ( 9.758 12.446 -5.386) 16.707 2.467 ( 8.196 5.211 1.574) 9.839 3.000 ( 6.827 19.386 -2.135) 20.663 4.668 ( -1.054 -0.660 -2.016) 2.368 5.054 ( 6.569 -5.442 3.377) 9.175 5.519 ( -4.442 -8.171 2.699) 9.684 6.006 ( -1.260 -4.870 -1.015) 5.131 6.296 ( 5.445 -6.957 7.177) 11.382 6.806 ( -16.836 4.424 -13.041) 21.751======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 4.243 10.422 2.255) 11.476 1.600 ( 1.896 9.150 -0.659) 9.368 1.990 ( 3.045 2.657 -0.322) 4.054 2.453 ( 6.917 7.296 -4.437) 10.989 2.722 ( 8.256 15.469 3.002) 17.789 3.292 ( 10.892 11.850 -0.110) 16.096 4.613 ( -3.981 -0.584 0.068) 4.024 5.046 ( 2.542 -16.711 -2.851) 17.142 5.418 ( -1.579 -0.095 0.111) 1.585 5.916 ( -1.591 -3.421 -1.371) 4.015 6.374 ( -2.015 3.369 6.274) 7.401 6.533 ( -9.502 -3.449 -5.089) 11.317======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( 1.334 7.261 2.472) 7.785 1.743 ( 5.259 10.052 -3.130) 11.769 2.052 ( 2.524 1.000 -0.747) 2.816 2.581 ( 5.292 1.242 -3.460) 6.443 2.986 ( 0.401 21.108 0.815) 21.127 3.582 ( 12.837 6.221 2.476) 14.478 4.536 ( -3.703 -2.801 2.207) 5.141 4.832 ( -5.807 -13.398 -8.078) 16.688 5.447 ( 3.060 0.656 -0.804) 3.231 5.908 ( 2.246 1.112 -0.605) 2.578 6.220 ( -13.873 5.073 -4.343) 15.397 6.509 ( 4.367 -7.589 11.083) 14.124======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -0.872 5.930 0.757) 6.042 1.901 ( 4.532 7.196 -3.804) 9.316 2.086 ( 1.392 -0.185 -1.111) 1.790 2.624 ( 2.432 -3.290 -4.296) 5.932 3.126 ( -6.698 18.844 0.269) 20.001 3.799 ( 5.615 2.526 1.455) 6.326 4.466 ( -0.959 -2.745 1.930) 3.490 4.635 ( -4.499 -2.830 -5.636) 7.747 5.494 ( 3.013 -0.940 -2.335) 3.926 5.972 ( 1.447 2.359 -0.091) 2.769 6.101 ( -2.706 3.013 -0.790) 4.126 6.524 ( 2.096 -7.549 11.548) 13.955======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -2.689 4.511 0.168) 5.255 1.999 ( 2.839 3.770 -4.799) 6.731 2.088 ( -0.052 -0.786 -1.307) 1.526 2.569 ( -1.769 -5.819 -4.310) 7.455 3.130 ( -12.032 14.474 0.920) 18.844 3.820 ( -1.953 -1.223 -0.130) 2.308 4.479 ( 1.373 -0.362 1.501) 2.066 4.603 ( 0.971 5.343 -2.898) 6.155 5.510 ( 1.930 -2.167 -2.894) 4.098 5.992 ( -0.784 3.502 0.901) 3.700 6.121 ( -1.000 0.109 -0.942) 1.378 6.557 ( 7.870 -7.178 11.234) 15.481======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( -0.000 11.413 1.119) 11.468 1.473 ( -0.000 3.688 1.005) 3.823 1.871 ( -0.000 15.835 0.446) 15.841 1.956 ( -0.000 3.740 0.580) 3.785 2.345 ( 0.000 3.518 -4.024) 5.346 2.921 ( 0.000 26.011 -3.396) 26.232 4.578 ( -0.000 -2.423 0.418) 2.459 5.060 ( -0.000 3.213 6.925) 7.634 5.627 ( -0.000 -9.938 8.793) 13.270 5.899 ( -0.000 1.340 0.610) 1.472 6.224 ( 0.000 -17.718 -2.922) 17.957 7.136 ( 0.000 4.309 -14.434) 15.063======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( -0.369 9.197 -2.324) 9.493 1.534 ( 2.754 5.157 -0.795) 5.900 1.942 ( -1.078 5.591 0.505) 5.717 2.153 ( 10.700 12.607 -2.508) 16.725 2.418 ( 4.479 5.538 3.470) 7.923 3.154 ( 0.181 23.853 -3.870) 24.165 4.603 ( 4.207 -1.866 -0.830) 4.677 5.050 ( -5.023 -2.792 9.662) 11.242 5.521 ( -3.266 -6.986 1.766) 7.911 5.959 ( 2.074 -2.784 0.444) 3.500 6.100 ( 6.816 -11.167 1.181) 13.136 7.035 ( -10.200 2.675 -13.637) 17.238======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 3.457 8.975 -0.194) 9.620 1.636 ( 3.008 6.632 -2.260) 7.625 1.986 ( 1.012 3.212 0.180) 3.372 2.398 ( 6.003 7.449 -1.625) 9.703 2.676 ( 15.074 13.029 5.341) 20.627 3.346 ( 0.201 18.007 -2.939) 18.247 4.635 ( 1.307 -1.397 -2.025) 2.786 4.913 ( -5.061 -12.416 5.685) 14.563 5.441 ( -1.646 -0.846 -1.277) 2.249 5.901 ( -1.094 -3.443 -0.503) 3.647 6.226 ( 11.784 -6.052 6.463) 14.739 6.789 ( -16.322 1.990 -11.514) 20.073======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 3.578 6.816 2.516) 8.099 1.753 ( 4.039 8.877 -3.146) 10.248 2.031 ( 1.376 1.729 -0.070) 2.210 2.511 ( 3.407 1.854 -0.512) 3.912 3.113 ( 13.936 19.897 3.885) 24.601 3.497 ( 3.273 10.447 -0.864) 10.981 4.592 ( -4.635 -2.489 2.170) 5.691 4.722 ( -1.549 -13.557 -5.113) 14.572 5.432 ( 0.168 1.016 -0.154) 1.041 5.891 ( 1.094 1.374 -0.182) 1.766 6.348 ( 7.232 -9.135 6.087) 13.146 6.503 ( -15.240 3.344 -6.355) 16.847======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 0.671 5.920 1.027) 6.045 1.900 ( 3.788 7.530 -1.420) 8.548 2.061 ( 1.163 0.451 -0.374) 1.302 2.548 ( 1.780 -2.195 -1.637) 3.266 3.423 ( -3.520 21.730 1.837) 22.090 3.693 ( 11.428 3.907 1.474) 12.167 4.472 ( -3.355 -4.517 1.400) 5.798 4.607 ( -0.136 -4.937 -6.697) 8.322 5.449 ( 1.109 -0.251 -0.166) 1.150 5.949 ( 2.815 2.867 -0.153) 4.020 6.223 ( -8.664 -2.282 -1.575) 9.097 6.445 ( 2.173 -4.812 5.792) 7.837======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( -2.029 5.633 0.770) 6.036 1.993 ( 1.605 3.892 -1.953) 4.641 2.074 ( 0.484 -0.317 -0.596) 0.831 2.522 ( -0.088 -4.256 -2.306) 4.841 3.479 ( -10.681 15.402 3.087) 18.996 3.824 ( 1.036 -0.115 -0.647) 1.226 4.467 ( 0.996 1.331 1.552) 2.274 4.584 ( 3.891 2.048 -6.465) 7.819 5.456 ( 1.155 -1.944 -0.992) 2.469 6.010 ( 1.983 0.810 1.073) 2.396 6.135 ( -1.281 1.081 -0.125) 1.681 6.431 ( 1.874 -7.913 6.116) 10.175======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 0.000 2.834 -2.407) 3.719 1.522 ( 0.000 8.518 -6.701) 10.838 1.987 ( 0.000 2.201 -2.045) 3.005 2.196 ( -0.000 15.814 2.508) 16.012 2.451 ( -0.000 5.658 5.879) 8.160 3.367 ( 0.000 22.114 -4.763) 22.621 4.555 ( -0.000 -0.498 0.715) 0.872 5.102 ( -0.000 -8.242 13.876) 16.139 5.488 ( 0.000 -5.754 -1.004) 5.841 5.917 ( -0.000 0.373 0.089) 0.383 5.941 ( 0.000 -8.495 -1.126) 8.570 7.087 ( 0.000 0.289 -13.907) 13.910======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( 2.528 5.376 -1.338) 6.090 1.615 ( 4.105 5.980 -6.017) 9.424 2.008 ( 0.102 2.926 0.143) 2.931 2.401 ( 4.683 11.453 1.833) 12.508 2.583 ( 8.512 7.428 6.456) 13.012 3.530 ( -1.464 17.601 -4.011) 18.112 4.575 ( 2.158 -0.723 -0.611) 2.356 4.950 ( -8.096 -14.890 10.369) 19.869 5.448 ( -0.541 0.339 -2.371) 2.455 5.888 ( -0.324 -1.396 0.463) 1.506 6.007 ( 9.480 -2.558 1.809) 9.984 6.964 ( -8.641 -0.880 -13.073) 15.695======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 5.204 4.283 0.975) 6.810 1.739 ( 5.433 7.402 -3.746) 9.917 2.038 ( 0.218 2.199 0.599) 2.289 2.514 ( 0.324 3.996 3.225) 5.145 2.950 ( 20.676 11.146 3.882) 23.807 3.635 ( -2.376 13.702 -2.331) 14.100 4.584 ( 1.166 -2.872 -2.802) 4.178 4.695 ( -8.492 -12.167 5.387) 15.786 5.447 ( -0.552 1.520 -0.645) 1.741 5.899 ( 0.435 2.913 0.307) 2.961 6.144 ( 9.554 -5.426 3.191) 11.441 6.730 ( -13.067 -0.752 -10.408) 16.722======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 4.435 3.626 -0.050) 5.729 1.894 ( 4.897 6.552 -0.306) 8.185 2.058 ( 0.152 1.090 0.297) 1.139 2.531 ( -1.189 -0.228 1.861) 2.220 3.423 ( 21.683 8.817 1.725) 23.470 3.702 ( -3.185 11.082 -0.364) 11.537 4.484 ( -3.641 -6.324 -0.767) 7.338 4.569 ( -1.845 -2.172 0.705) 2.935 5.447 ( -0.600 0.519 0.155) 0.808 5.949 ( 1.099 4.136 -0.267) 4.287 6.207 ( 3.522 -7.162 1.704) 8.161 6.498 ( -9.663 -0.338 -5.019) 10.894======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 2.480 4.295 -0.000) 4.959 1.993 ( 1.431 2.478 -0.000) 2.862 2.068 ( 0.230 0.399 -0.000) 0.460 2.495 ( -1.393 -2.414 -0.000) 2.787 3.716 ( 1.099 1.903 -0.000) 2.198 3.766 ( 4.074 7.056 -0.000) 8.148 4.483 ( 4.226 7.320 0.000) 8.452 4.518 ( -1.517 -2.628 -0.000) 3.035 5.435 ( -0.597 -1.033 -0.000) 1.193 5.989 ( 0.382 0.661 -0.000) 0.764 6.161 ( -1.252 -2.168 -0.000) 2.504 6.386 ( -2.169 -3.758 -0.000) 4.339======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 0.000 2.961 -1.398) 3.275 1.624 ( 0.000 7.403 -4.606) 8.719 2.037 ( -0.000 2.802 1.060) 2.996 2.478 ( -0.000 11.988 1.659) 12.102 2.592 ( -0.000 3.831 7.900) 8.779 3.676 ( 0.000 13.006 -3.531) 13.477 4.559 ( 0.000 0.406 -0.264) 0.485 4.885 ( -0.000 -19.161 8.172) 20.831 5.461 ( 0.000 2.431 -0.901) 2.593 5.902 ( -0.000 3.282 1.414) 3.574 5.916 ( 0.000 -0.272 -0.359) 0.450 6.972 ( 0.000 -2.690 -13.778) 14.038======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 4.270 2.581 -0.605) 5.026 1.721 ( 3.790 7.681 -0.376) 8.574 2.063 ( -0.218 1.972 1.367) 2.410 2.578 ( -0.978 4.869 4.472) 6.683 2.757 ( 13.126 6.369 4.427) 15.246 3.762 ( -0.749 8.675 -2.007) 8.936 4.555 ( -0.665 -1.110 -1.774) 2.195 4.696 ( -3.817 -13.793 4.353) 14.959 5.477 ( -0.893 2.270 0.607) 2.514 5.927 ( 0.787 2.595 0.085) 2.713 5.995 ( 5.237 1.896 1.472) 5.761 6.840 ( -6.904 -2.896 -12.950) 14.958======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 5.792 1.806 -0.742) 6.112 1.871 ( 4.972 6.380 2.206) 8.384 2.075 ( -0.506 0.979 1.092) 1.552 2.581 ( -3.005 0.175 4.407) 5.337 3.120 ( 21.344 4.399 1.411) 21.838 3.809 ( -0.754 4.785 -0.524) 4.872 4.485 ( -2.593 -2.807 -1.900) 4.268 4.591 ( -1.499 -3.150 3.277) 4.786 5.477 ( -1.610 1.361 1.168) 2.410 5.974 ( 1.351 2.983 -0.356) 3.294 6.092 ( 4.318 -0.179 1.039) 4.445 6.631 ( -10.021 -2.081 -10.240) 14.478======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( -0.000 2.338 0.164) 2.344 1.772 ( -0.000 8.271 4.036) 9.203 2.085 ( -0.000 1.039 1.739) 2.026 2.666 ( -0.000 6.562 1.191) 6.669 2.682 ( -0.000 -0.359 8.420) 8.428 3.819 ( 0.000 3.624 -0.757) 3.702 4.555 ( 0.000 -0.171 -2.270) 2.276 4.601 ( -0.000 -11.356 0.486) 11.366 5.512 ( -0.000 1.907 2.291) 2.981 5.909 ( 0.000 -0.091 -0.463) 0.471 6.030 ( -0.000 7.250 1.707) 7.448 6.824 ( 0.000 -2.483 -14.082) 14.299======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 3.563 1.410 0.263) 3.841 1.888 ( 2.206 7.288 6.172) 9.802 2.093 ( -0.373 0.142 1.705) 1.752 2.644 ( -3.094 -1.637 6.007) 6.953 2.857 ( 13.676 1.376 2.451) 13.961 3.833 ( -0.057 -0.138 0.026) 0.151 4.498 ( -1.860 -1.298 -2.303) 3.232 4.564 ( 1.457 -2.460 -0.804) 2.970 5.525 ( -1.395 1.427 2.948) 3.560 5.934 ( 2.941 0.039 -0.525) 2.988 6.096 ( 0.317 3.978 1.453) 4.247 6.716 ( -5.990 0.302 -13.452) 14.728======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -0.000 0.853 0.982) 1.301 1.969 ( -0.000 7.208 8.418) 11.083 2.100 ( -0.000 -0.667 2.113) 2.216 2.674 ( -0.000 -6.474 8.657) 10.810 2.738 ( -0.000 0.041 1.271) 1.272 3.820 ( 0.000 -2.223 -0.075) 2.224 4.503 ( 0.000 1.499 -2.278) 2.727 4.524 ( 0.000 -0.827 -3.667) 3.759 5.561 ( -0.000 1.142 3.938) 4.100 5.910 ( 0.000 0.519 -0.392) 0.650 6.113 ( -0.000 -1.489 1.300) 1.976 6.750 ( 0.000 5.865 -14.297) 15.453======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( -0.000 0.000 19.870) 19.870 0.838 ( -0.000 0.000 19.870) 19.870 1.370 ( -0.000 0.000 32.539) 32.539 1.710 ( 0.000 -0.000 -8.922) 8.922 1.710 ( 0.000 -0.000 -8.922) 8.922 2.816 ( 0.000 -0.000 -15.099) 15.099 4.759 ( 0.000 -0.000 -0.762) 0.762 4.759 ( 0.000 -0.000 -0.762) 0.762 5.829 ( -0.000 0.000 0.820) 0.820 5.829 ( -0.000 0.000 0.820) 0.820 6.864 ( -0.000 0.000 0.649) 0.649 6.927 ( 0.000 -0.000 -0.724) 0.724======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 3.655 2.110 16.788) 17.310 0.996 ( 3.218 1.858 20.667) 20.999 1.610 ( 9.899 5.715 20.928) 23.846 1.739 ( 9.660 5.577 -8.042) 13.752 1.771 ( 5.309 3.065 -8.255) 10.283 2.683 ( -5.452 -3.148 -13.051) 14.491 4.750 ( -1.414 -0.816 -1.172) 2.010 4.826 ( 7.152 4.129 -1.427) 8.381 5.860 ( 1.738 1.004 0.505) 2.070 5.890 ( 4.555 2.630 6.076) 8.036 6.833 ( -7.536 -4.351 -1.153) 8.778 6.853 ( -2.832 -1.635 -6.053) 6.879======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 7.039 4.064 11.589) 14.156 1.097 ( 1.108 0.640 16.031) 16.082 1.768 ( 5.476 3.162 -2.802) 6.916 1.891 ( 7.850 4.532 -6.919) 11.404 2.131 ( 19.898 11.488 5.905) 23.723 2.593 ( 2.232 1.288 -8.993) 9.355 4.697 ( -2.739 -1.581 -1.632) 3.559 5.023 ( 10.400 6.005 -2.627) 12.293 5.899 ( 1.562 0.902 0.049) 1.805 5.996 ( 0.319 0.184 14.432) 14.437 6.569 ( -14.147 -8.168 -8.110) 18.238 6.740 ( -4.645 -2.682 -6.544) 8.461======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( 4.662 2.692 7.500) 9.232 1.268 ( 7.164 4.136 6.646) 10.612 1.878 ( 5.289 3.054 -2.218) 6.498 2.071 ( 10.131 5.849 -4.952) 12.703 2.468 ( 9.084 5.245 -1.606) 10.612 2.809 ( 18.418 10.633 -0.583) 21.275 4.630 ( -2.721 -1.571 -1.482) 3.474 5.235 ( 9.286 5.361 -3.517) 11.285 5.923 ( 0.563 0.325 -0.282) 0.709 5.931 ( -12.156 -7.018 14.865) 20.444 6.206 ( -13.285 -7.670 -14.448) 21.073 6.659 ( -1.501 -0.866 1.326) 2.182======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 10.054 5.805 1.505) 11.707 1.427 ( 5.804 3.351 2.895) 7.301 1.982 ( 4.513 2.605 -1.219) 5.351 2.294 ( 10.964 6.330 -3.060) 13.025 2.621 ( 6.567 3.791 -3.899) 8.526 3.242 ( 18.623 10.752 2.613) 21.662 4.574 ( -1.943 -1.122 -0.406) 2.280 5.393 ( 5.030 2.904 -1.977) 6.135 5.545 ( -21.230 -12.257 -3.071) 24.705 5.924 ( -0.329 -0.190 -0.270) 0.466 5.980 ( -4.742 -2.738 -5.977) 8.106 6.664 ( -0.569 -0.328 10.527) 10.547======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 4.146 2.394 0.610) 4.826 1.610 ( 11.381 6.571 -2.937) 13.465 2.062 ( 3.014 1.740 -1.252) 3.698 2.515 ( 9.420 5.439 -1.874) 11.038 2.731 ( 4.493 2.594 -5.680) 7.693 3.604 ( 12.871 7.431 3.465) 15.260 4.542 ( -1.151 -0.665 1.324) 1.876 5.017 ( -22.152 -12.789 -3.974) 25.886 5.500 ( 3.814 2.202 -5.358) 6.935 5.912 ( -0.545 -0.315 0.033) 0.630 5.943 ( 2.574 1.486 -2.747) 4.047 6.678 ( -2.045 -1.180 14.683) 14.871======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( 2.455 1.417 -0.554) 2.888 1.825 ( 9.196 5.309 -6.544) 12.473 2.102 ( 1.044 0.603 -1.742) 2.119 2.678 ( 5.561 3.211 -1.376) 6.567 2.764 ( 0.147 0.085 -8.174) 8.176 3.809 ( 4.466 2.578 1.376) 5.337 4.529 ( -0.790 -0.456 2.962) 3.099 4.607 ( -12.412 -7.166 -0.783) 14.354 5.545 ( 1.867 1.078 -4.476) 4.968 5.905 ( -0.116 -0.067 0.340) 0.366 6.048 ( 6.191 3.575 -1.873) 7.390 6.676 ( -1.954 -1.128 15.904) 16.064======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -0.000 4.745 17.201) 17.844 1.109 ( -0.000 10.490 17.634) 20.518 1.609 ( 0.000 -0.218 -10.828) 10.830 1.665 ( -0.000 7.736 22.736) 24.016 1.838 ( 0.000 16.459 -7.959) 18.283 2.640 ( 0.000 -5.672 -14.520) 15.588 4.711 ( 0.000 -3.359 -0.293) 3.371 4.824 ( 0.000 5.515 -0.592) 5.546 5.838 ( -0.000 0.978 0.986) 1.389 5.876 ( -0.000 -0.120 6.241) 6.242 6.822 ( 0.000 -9.184 -1.144) 9.254 6.912 ( 0.000 5.141 -7.034) 8.712======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 1.736 6.162 12.835) 14.343 1.239 ( -3.026 9.192 15.748) 18.484 1.654 ( 7.376 2.488 -8.153) 11.272 1.839 ( 4.985 7.397 1.431) 9.034 2.059 ( 7.887 18.362 2.854) 20.187 2.549 ( 0.291 -0.071 -10.902) 10.906 4.707 ( 1.148 -2.405 -1.292) 2.962 4.908 ( 5.179 5.082 -0.267) 7.261 5.836 ( 0.254 -4.783 3.098) 5.704 5.969 ( 6.851 0.100 8.492) 10.912 6.662 ( -5.858 -11.932 -1.847) 13.420 6.851 ( -9.710 5.929 -11.005) 15.829======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 1.632 5.021 7.409) 9.097 1.322 ( -1.287 9.673 9.405) 13.553 1.802 ( 6.936 4.439 -1.774) 8.424 1.997 ( 6.696 9.941 -6.748) 13.755 2.362 ( 9.813 7.109 0.732) 12.140 2.668 ( 10.922 13.174 -3.043) 17.381 4.670 ( -2.957 -0.294 -1.651) 3.399 5.080 ( 10.735 1.857 -1.617) 11.014 5.765 ( -0.486 -13.295 4.090) 13.918 6.070 ( 0.955 -1.531 5.368) 5.663 6.424 ( -12.124 -3.229 -2.514) 12.796 6.692 ( -7.527 1.346 -6.796) 10.230======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 4.507 7.848 3.928) 9.866 1.438 ( 1.470 8.356 4.348) 9.533 1.930 ( 4.572 3.423 -0.539) 5.737 2.218 ( 8.640 12.477 -4.915) 15.952 2.543 ( 6.792 5.622 -2.499) 9.164 3.054 ( 17.555 13.164 1.750) 22.012 4.611 ( -3.299 0.213 -0.932) 3.434 5.252 ( 10.521 -2.367 -4.209) 11.576 5.564 ( -7.176 -17.978 1.684) 19.430 5.994 ( -4.508 -4.684 -1.515) 6.675 6.208 ( -16.956 11.316 -5.021) 20.994 6.645 ( 2.880 -4.838 7.853) 9.663======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( 5.937 8.012 2.865) 10.375 1.551 ( 3.137 7.998 -0.310) 8.597 2.020 ( 3.552 2.035 -0.957) 4.204 2.455 ( 7.448 10.655 -3.230) 13.395 2.689 ( 3.997 8.255 -3.844) 9.945 3.452 ( 15.953 8.637 3.494) 18.475 4.565 ( -2.175 -0.240 0.564) 2.260 5.139 ( -11.213 -20.230 -7.471) 24.306 5.423 ( 3.627 1.480 -0.613) 3.966 5.908 ( -0.698 -1.306 -1.454) 2.075 6.061 ( -10.889 9.224 -3.740) 14.752 6.687 ( 2.888 -5.839 13.779) 15.242======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 0.764 5.004 0.770) 5.121 1.736 ( 7.004 8.224 -3.224) 11.273 2.077 ( 2.083 0.727 -1.429) 2.629 2.619 ( 5.090 3.223 -3.855) 7.152 2.801 ( -0.784 12.121 -4.312) 12.889 3.739 ( 9.107 4.527 2.636) 10.506 4.535 ( -1.107 -1.957 2.315) 3.227 4.742 ( -12.889 -10.789 -4.933) 17.517 5.492 ( 3.458 0.255 -2.533) 4.294 5.929 ( 0.917 1.847 -0.271) 2.080 6.011 ( -0.973 5.430 -1.855) 5.820 6.704 ( 0.726 -6.197 14.517) 15.801======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( -0.000 7.293 10.217) 12.553 1.395 ( -0.000 6.526 8.212) 10.490 1.611 ( 0.000 9.565 -5.230) 10.902 1.869 ( -0.000 5.966 1.916) 6.266 2.175 ( 0.000 15.478 -1.773) 15.579 2.537 ( 0.000 8.111 -7.694) 11.180 4.640 ( -0.000 -3.724 0.466) 3.753 4.955 ( -0.000 7.696 1.454) 7.832 5.860 ( -0.000 -8.223 12.817) 15.227 5.872 ( -0.000 1.642 1.047) 1.948 6.554 ( 0.000 -16.732 -2.809) 16.966 6.968 ( 0.000 7.182 -13.867) 15.617======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( -0.340 6.894 4.015) 7.986 1.446 ( -0.251 4.906 2.517) 5.520 1.772 ( 4.389 11.707 2.572) 12.765 1.958 ( 5.356 6.872 -6.427) 10.827 2.311 ( 4.620 6.911 0.736) 8.346 2.697 ( 3.810 20.659 -3.458) 21.290 4.648 ( 3.328 -2.913 -0.529) 4.454 5.023 ( -0.229 5.799 2.735) 6.415 5.724 ( -5.386 -9.981 6.344) 12.995 6.001 ( 6.966 -1.625 5.675) 9.131 6.378 ( 0.805 -15.860 -0.858) 15.903 6.895 ( -10.519 6.498 -14.317) 18.917======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 2.305 8.421 0.894) 8.777 1.516 ( 0.912 6.440 2.211) 6.869 1.910 ( 2.443 5.015 1.361) 5.742 2.176 ( 9.779 13.435 -5.439) 17.484 2.488 ( 7.897 8.026 2.012) 11.438 2.982 ( 8.150 18.629 -1.388) 20.381 4.652 ( -0.580 -0.856 -1.137) 1.537 5.079 ( 3.222 -2.527 1.598) 4.395 5.542 ( -5.520 -10.562 1.767) 12.048 5.997 ( -2.661 -6.005 -0.695) 6.605 6.372 ( 7.597 -5.381 7.917) 12.221 6.686 ( -14.134 3.619 -11.034) 18.293======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 5.348 10.448 1.574) 11.842 1.602 ( 1.024 6.791 0.962) 6.935 1.988 ( 2.570 2.671 -0.123) 3.708 2.415 ( 6.948 8.551 -3.175) 11.466 2.736 ( 6.360 17.316 -0.212) 18.448 3.298 ( 12.843 10.966 1.413) 16.947 4.614 ( -3.032 0.012 0.303) 3.047 5.012 ( -1.533 -16.402 -4.147) 16.987 5.422 ( -1.291 -0.851 0.601) 1.659 5.905 ( -1.604 -2.821 -0.843) 3.352 6.366 ( -14.663 8.369 -6.372) 18.045 6.562 ( 6.741 -9.706 9.603) 15.227======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 0.163 6.425 1.765) 6.665 1.722 ( 5.184 10.057 -0.658) 11.334 2.045 ( 2.181 1.156 -0.770) 2.586 2.547 ( 4.522 1.911 -3.483) 6.020 2.979 ( -0.554 22.559 -1.990) 22.653 3.609 ( 13.308 5.689 2.837) 14.748 4.559 ( -3.349 -1.869 2.471) 4.562 4.756 ( -6.054 -14.131 -7.232) 16.989 5.443 ( 2.109 0.698 0.012) 2.221 5.903 ( 2.285 1.485 -0.522) 2.775 6.179 ( -11.626 5.351 -3.914) 13.384 6.621 ( 5.402 -9.419 11.596) 15.887======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( 0.000 6.814 -0.730) 6.853 1.457 ( 0.000 2.568 -3.967) 4.726 1.897 ( -0.000 16.278 4.708) 16.945 1.928 ( 0.000 2.944 -5.293) 6.057 2.345 ( -0.000 6.804 3.393) 7.603 2.884 ( 0.000 25.370 -3.970) 25.679 4.586 ( -0.000 -2.394 1.075) 2.624 5.120 ( -0.000 6.719 5.264) 8.536 5.733 ( -0.000 -14.097 12.943) 19.138 5.905 ( -0.000 1.061 0.737) 1.292 6.190 ( 0.000 -17.333 -4.156) 17.824 6.989 ( 0.000 4.739 -15.498) 16.206======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 0.939 7.591 -3.620) 8.462 1.517 ( 4.022 3.698 -2.834) 6.155 1.941 ( 0.132 4.108 -0.824) 4.191 2.143 ( 8.189 15.042 0.974) 17.154 2.462 ( 4.698 7.435 5.055) 10.144 3.116 ( 0.783 23.315 -3.973) 23.664 4.599 ( 2.968 -1.963 0.073) 3.559 5.137 ( -6.164 1.123 7.986) 10.150 5.542 ( -5.902 -11.507 2.445) 13.162 5.966 ( 0.187 -4.805 0.967) 4.905 6.119 ( 12.230 -9.691 2.853) 15.863 6.895 ( -9.415 3.264 -14.739) 17.791======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( 5.161 9.825 -0.926) 11.136 1.616 ( 3.903 4.465 -1.811) 6.201 1.987 ( 1.066 3.197 0.110) 3.372 2.395 ( 5.175 9.686 0.889) 11.018 2.719 ( 13.867 13.413 3.250) 19.564 3.318 ( 1.416 17.591 -2.580) 17.836 4.620 ( 1.544 -1.855 -1.016) 2.618 4.966 ( -9.709 -11.706 5.134) 16.051 5.430 ( -0.927 -1.323 -1.023) 1.912 5.900 ( -1.268 -2.923 0.168) 3.191 6.295 ( 13.746 -8.039 7.531) 17.615 6.673 ( -14.608 2.618 -12.089) 19.142======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 2.860 4.954 -0.000) 5.720 1.730 ( 5.801 10.048 -0.000) 11.602 2.030 ( 1.083 1.876 -0.000) 2.166 2.508 ( 1.853 3.209 -0.000) 3.705 3.133 ( 12.256 21.227 -0.000) 24.511 3.492 ( 5.442 9.426 -0.000) 10.884 4.606 ( -0.944 -1.635 -0.000) 1.887 4.693 ( -8.016 -13.885 0.000) 16.033 5.431 ( 0.537 0.930 -0.000) 1.074 5.890 ( 0.888 1.538 -0.000) 1.776 6.390 ( -4.371 -7.570 -0.000) 8.742 6.460 ( 0.005 0.009 0.000) 0.010======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 0.000 7.574 -6.583) 10.034 1.491 ( 0.000 3.659 -3.306) 4.932 1.973 ( 0.000 3.963 -0.705) 4.025 2.226 ( -0.000 14.866 3.461) 15.264 2.512 ( -0.000 6.745 6.518) 9.380 3.320 ( 0.000 22.090 -4.806) 22.607 4.562 ( -0.000 -0.838 0.755) 1.127 5.239 ( -0.000 -4.388 13.529) 14.223 5.483 ( -0.000 -13.100 0.383) 13.106 5.919 ( -0.000 0.054 0.190) 0.198 5.934 ( 0.000 -6.563 -0.205) 6.566 6.942 ( 0.000 0.952 -15.565) 15.594======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 3.743 8.890 -1.664) 9.789 1.565 ( 4.660 4.064 -3.821) 7.269 2.012 ( 0.137 3.647 0.696) 3.715 2.424 ( 4.891 11.978 2.861) 13.251 2.642 ( 7.101 7.369 5.594) 11.663 3.489 ( -0.973 18.100 -4.135) 18.592 4.570 ( 1.336 -1.197 -0.470) 1.854 5.051 ( -10.500 -17.623 10.166) 22.895 5.429 ( -0.125 1.516 -1.474) 2.118 5.895 ( -0.516 -1.112 1.053) 1.616 6.029 ( 11.484 -3.599 2.748) 12.345 6.828 ( -7.655 -0.228 -14.585) 16.473======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 0.000 3.831 -1.109) 3.988 1.599 ( 0.000 10.249 -0.630) 10.269 2.049 ( -0.000 3.251 1.357) 3.523 2.496 ( -0.000 11.400 1.949) 11.565 2.667 ( -0.000 4.418 7.267) 8.504 3.640 ( 0.000 14.216 -3.784) 14.710 4.553 ( 0.000 -0.369 -0.876) 0.951 4.962 ( -0.000 -23.546 7.158) 24.610 5.465 ( -0.000 3.907 1.850) 4.323 5.913 ( 0.000 -0.459 -0.217) 0.508 5.919 ( -0.000 3.386 2.113) 3.991 6.828 ( 0.000 -2.132 -15.491) 15.637======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( -0.000 0.000 18.526) 18.526 1.026 ( -0.000 0.000 18.526) 18.526 1.612 ( 0.000 -0.000 -11.093) 11.093 1.612 ( 0.000 -0.000 -11.093) 11.093 1.676 ( -0.000 0.000 30.389) 30.389 2.652 ( 0.000 -0.000 -18.598) 18.598 4.752 ( 0.000 -0.000 -0.602) 0.602 4.752 ( 0.000 -0.000 -0.602) 0.602 5.837 ( -0.000 0.000 0.650) 0.650 5.837 ( -0.000 0.000 0.650) 0.650 6.870 ( -0.000 0.000 0.550) 0.550 6.920 ( 0.000 -0.000 -0.609) 0.609======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 1.917 1.107 16.238) 16.388 1.190 ( 3.345 1.931 18.996) 19.384 1.598 ( 5.121 2.957 -11.923) 13.309 1.679 ( 6.085 3.513 -10.595) 12.713 1.868 ( 9.410 5.433 23.107) 25.534 2.539 ( -3.208 -1.852 -16.550) 16.960 4.738 ( -1.684 -0.972 -1.291) 2.334 4.815 ( 6.511 3.759 -0.801) 7.560 5.863 ( 1.573 0.908 0.074) 1.818 5.936 ( 7.754 4.477 3.423) 9.585 6.805 ( -9.180 -5.300 -2.858) 10.979 6.830 ( -4.801 -2.772 -0.518) 5.568======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 4.762 2.750 11.935) 13.141 1.245 ( -1.938 -1.119 13.031) 13.222 1.724 ( 7.368 4.254 -4.185) 9.481 1.814 ( 9.031 5.214 -8.924) 13.725 2.213 ( 14.742 8.511 9.485) 19.487 2.498 ( 5.901 3.407 -10.078) 12.166 4.680 ( -2.823 -1.630 -1.833) 3.740 4.999 ( 9.786 5.650 -2.173) 11.507 5.898 ( 1.453 0.839 -0.423) 1.731 6.101 ( 3.430 1.981 5.665) 6.913 6.487 ( -17.363 -10.024 -6.052) 20.942 6.721 ( -3.906 -2.255 1.451) 4.738======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( 2.056 1.187 7.831) 8.183 1.336 ( 5.106 2.948 7.168) 9.282 1.863 ( 5.741 3.314 -0.370) 6.639 2.016 ( 11.410 6.588 -6.176) 14.551 2.441 ( 7.147 4.126 -4.064) 9.199 2.816 ( 20.547 11.863 2.107) 23.819 4.614 ( -2.419 -1.396 -1.664) 3.251 5.200 ( 8.886 5.131 -3.554) 10.859 5.919 ( 0.587 0.339 -0.555) 0.876 6.028 ( -21.891 -12.638 -7.644) 26.408 6.072 ( -5.803 -3.350 0.594) 6.727 6.719 ( 1.388 0.801 10.121) 10.247======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 7.668 4.427 4.705) 10.027 1.458 ( 4.385 2.532 3.419) 6.109 1.973 ( 4.369 2.522 -0.587) 5.079 2.261 ( 11.877 6.857 -3.595) 14.178 2.573 ( 6.272 3.621 -5.743) 9.243 3.276 ( 18.979 10.957 4.122) 22.299 4.569 ( -1.264 -0.730 -0.644) 1.595 5.349 ( 4.595 2.653 -8.000) 9.599 5.503 ( -21.928 -12.660 -3.956) 25.627 5.921 ( -0.186 -0.107 -0.255) 0.333 5.942 ( -4.128 -2.383 -2.054) 5.191 6.792 ( 0.650 0.375 14.907) 14.926======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( -0.000 2.787 16.528) 16.761 1.275 ( -0.000 9.027 16.302) 18.635 1.495 ( 0.000 0.199 -12.332) 12.333 1.694 ( 0.000 11.165 -11.667) 16.149 1.935 ( -0.000 7.974 22.837) 24.189 2.483 ( 0.000 -2.899 -17.574) 17.812 4.711 ( -0.000 -3.139 0.289) 3.152 4.818 ( 0.000 6.044 -0.699) 6.084 5.848 ( -0.000 1.104 0.947) 1.455 5.926 ( -0.000 4.723 4.012) 6.197 6.810 ( 0.000 -10.059 -1.404) 10.156 6.859 ( 0.000 -0.256 -3.929) 3.938======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 0.344 2.857 11.679) 12.028 1.366 ( -2.980 4.653 7.920) 9.657 1.590 ( 9.731 6.416 -2.552) 11.932 1.781 ( 2.402 9.996 -10.378) 14.608 2.152 ( 7.459 10.084 13.178) 18.193 2.434 ( 2.143 4.330 -12.450) 13.354 4.698 ( 0.176 -2.197 -0.673) 2.304 4.905 ( 4.391 6.019 -0.294) 7.456 5.852 ( -0.068 -2.302 0.840) 2.452 6.047 ( 6.481 1.752 6.567) 9.391 6.639 ( -6.843 -10.992 -2.704) 13.227 6.771 ( -7.292 0.093 -5.188) 8.950======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( 1.325 1.823 5.215) 5.681 1.400 ( -1.204 6.889 6.164) 9.322 1.808 ( 6.340 6.136 3.572) 9.519 1.917 ( 7.980 10.379 -9.047) 15.914 2.364 ( 6.407 5.368 -1.041) 8.423 2.651 ( 14.243 15.290 -0.173) 20.897 4.656 ( -3.098 -0.030 -1.222) 3.331 5.063 ( 9.044 2.716 -1.761) 9.606 5.785 ( -1.348 -11.595 0.163) 11.675 6.099 ( -2.202 -3.581 -0.367) 4.220 6.391 ( -16.166 2.045 -3.337) 16.633 6.683 ( 1.915 -4.131 4.624) 6.490======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( 4.722 5.892 4.246) 8.663 1.481 ( 0.589 6.600 4.309) 7.904 1.931 ( 3.714 3.267 0.784) 5.008 2.171 ( 9.782 13.202 -4.289) 16.981 2.509 ( 5.345 7.100 -4.292) 9.869 3.080 ( 18.815 12.719 3.286) 22.947 4.603 ( -3.057 0.784 -0.683) 3.229 5.204 ( 7.920 -3.347 -5.835) 10.391 5.563 ( -7.988 -15.609 -1.474) 17.596 5.978 ( -4.673 -4.443 -1.538) 6.629 6.156 ( -16.475 10.515 -4.863) 20.140 6.755 ( 6.390 -5.721 13.539) 16.027======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( -0.000 2.463 8.056) 8.424 1.400 ( 0.000 1.456 -6.741) 6.897 1.625 ( -0.000 13.940 7.842) 15.995 1.814 ( 0.000 7.629 -10.360) 12.866 2.223 ( -0.000 7.772 8.956) 11.858 2.460 ( 0.000 14.419 -7.769) 16.379 4.648 ( -0.000 -3.571 1.190) 3.764 4.968 ( -0.000 9.194 1.224) 9.275 5.882 ( -0.000 1.588 1.028) 1.892 5.984 ( -0.000 -5.192 12.390) 13.434 6.520 ( 0.000 -17.507 -4.286) 18.024 6.845 ( 0.000 3.769 -11.041) 11.666======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( -0.576 2.848 0.025) 2.906 1.442 ( 3.358 3.224 -2.645) 5.354 1.826 ( 3.367 10.844 7.398) 13.552 1.877 ( 4.784 9.566 -8.187) 13.470 2.339 ( 3.654 6.558 3.635) 8.341 2.665 ( 4.881 21.456 -2.719) 22.172 4.648 ( 2.259 -2.797 0.457) 3.624 5.045 ( -1.062 7.790 1.989) 8.110 5.770 ( -7.603 -8.227 3.143) 11.635 6.062 ( 3.715 -4.231 6.140) 8.330 6.374 ( 5.710 -14.595 0.292) 15.675 6.766 ( -8.915 4.290 -11.580) 15.231======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 3.906 6.765 -0.000) 7.812 1.527 ( 2.675 4.633 0.000) 5.349 1.920 ( 2.216 3.838 -0.000) 4.432 2.146 ( 9.031 15.642 -0.000) 18.061 2.499 ( 5.689 9.854 -0.000) 11.379 2.975 ( 10.119 17.527 -0.000) 20.238 4.647 ( -0.513 -0.888 -0.000) 1.026 5.086 ( -0.105 -0.181 -0.000) 0.209 5.551 ( -6.435 -11.145 -0.000) 12.869 5.994 ( -3.545 -6.141 -0.000) 7.091 6.423 ( 0.293 0.507 -0.000) 0.586 6.620 ( -2.165 -3.750 0.000) 4.330======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 0.000 2.939 -4.646) 5.497 1.403 ( 0.000 3.803 -6.538) 7.563 1.879 ( 0.000 5.356 -3.807) 6.571 1.954 ( -0.000 14.879 6.414) 16.202 2.392 ( -0.000 7.408 5.567) 9.267 2.846 ( 0.000 24.854 -3.728) 25.132 4.598 ( -0.000 -2.526 1.519) 2.948 5.164 ( -0.000 9.094 4.005) 9.937 5.876 ( -0.000 -17.108 16.084) 23.482 5.912 ( -0.000 0.824 0.718) 1.093 6.140 ( 0.000 -15.855 -6.394) 17.096 6.841 ( 0.000 3.901 -14.403) 14.922======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( -0.000 0.000 16.918) 16.918 1.199 ( -0.000 0.000 16.918) 16.918 1.494 ( 0.000 -0.000 -13.160) 13.160 1.494 ( 0.000 -0.000 -13.160) 13.160 1.960 ( -0.000 0.000 27.666) 27.666 2.455 ( 0.000 -0.000 -21.720) 21.720 4.748 ( 0.000 -0.000 -0.330) 0.330 4.748 ( 0.000 -0.000 -0.330) 0.330 5.842 ( -0.000 0.000 0.358) 0.358 5.842 ( -0.000 0.000 0.358) 0.358 6.875 ( -0.000 0.000 0.327) 0.327 6.915 ( 0.000 -0.000 -0.360) 0.360======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 0.669 0.386 15.204) 15.224 1.348 ( 0.558 0.322 9.534) 9.556 1.491 ( 9.236 5.333 -6.232) 12.352 1.565 ( 6.898 3.982 -12.765) 15.046 2.090 ( 4.744 2.739 22.085) 22.754 2.362 ( -0.748 -0.432 -19.483) 19.502 4.726 ( -2.039 -1.177 -1.162) 2.625 4.810 ( 5.982 3.454 -0.118) 6.909 5.861 ( 1.360 0.785 -0.364) 1.612 5.957 ( 8.724 5.037 0.856) 10.110 6.790 ( -10.451 -6.034 -0.346) 12.072 6.828 ( -4.437 -2.562 0.150) 5.126======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 2.771 1.600 11.170) 11.620 1.320 ( -1.933 -1.116 1.189) 2.529 1.719 ( 10.507 6.066 -10.186) 15.842 1.725 ( 8.561 4.942 5.518) 11.321 2.281 ( 5.313 3.068 1.262) 6.263 2.420 ( 13.969 8.065 -2.982) 16.403 4.663 ( -2.950 -1.703 -1.677) 3.796 4.981 ( 8.977 5.183 -1.560) 10.483 5.891 ( 1.387 0.801 -0.807) 1.793 6.088 ( 0.554 0.320 -7.564) 7.590 6.478 ( -16.922 -9.770 3.304) 19.817 6.759 ( -0.819 -0.473 6.328) 6.398======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -0.000 0.830 14.226) 14.250 1.361 ( 0.000 -0.631 -12.330) 12.346 1.434 ( -0.000 9.366 13.159) 16.152 1.564 ( 0.000 12.091 -13.975) 18.480 2.156 ( -0.000 3.434 21.619) 21.890 2.300 ( 0.000 0.285 -19.708) 19.710 4.716 ( -0.000 -2.780 0.806) 2.895 4.812 ( 0.000 6.450 -0.430) 6.465 5.856 ( -0.000 1.316 0.726) 1.503 5.953 ( -0.000 8.461 1.646) 8.620 6.795 ( 0.000 -11.438 -1.311) 11.513 6.834 ( 0.000 -3.594 -1.334) 3.834======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -0.605 -1.048 -0.000) 1.210 1.379 ( 1.623 2.811 -0.000) 3.245 1.614 ( 6.024 10.434 -0.000) 12.048 1.698 ( 5.505 9.535 -0.000) 11.010 2.258 ( 1.464 2.535 0.000) 2.927 2.334 ( 6.607 11.444 -0.000) 13.215 4.694 ( -0.964 -1.669 -0.000) 1.927 4.903 ( 3.768 6.526 -0.000) 7.536 5.856 ( -0.797 -1.381 -0.000) 1.595 6.082 ( 3.057 5.295 -0.000) 6.114 6.622 ( -6.464 -11.196 -0.000) 12.928 6.747 ( -2.737 -4.740 0.000) 5.474======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 0.000 -0.000 -0.000) 0.000 1.346 ( 0.000 -0.000 -0.000) 0.000 1.365 ( -0.000 0.000 0.000) 0.000 1.365 ( -0.000 0.000 0.000) 0.000 2.183 ( -0.000 0.000 0.000) 0.000 2.261 ( 0.000 -0.000 -0.000) 0.000 4.746 ( -0.000 0.000 0.000) 0.000 4.746 ( -0.000 0.000 0.000) 0.000 5.843 ( -0.000 0.000 0.000) 0.000 5.843 ( -0.000 0.000 0.000) 0.000 6.876 ( -0.000 0.000 0.000) 0.000 6.913 ( -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 10.0 354.332 354.332 627.394 0.000 -0.000 -0.000 3/32928 20.0 68.355 68.355 64.177 0.000 -0.000 -0.000 3/32928 30.0 34.189 34.189 26.828 0.000 -0.000 -0.000 3/32928 40.0 22.052 22.052 16.188 0.000 -0.000 -0.000 3/32928 50.0 16.098 16.098 11.446 0.000 -0.000 -0.000 3/32928 60.0 12.663 12.663 8.850 0.000 -0.000 -0.000 3/32928 70.0 10.462 10.462 7.241 0.000 -0.000 -0.000 3/32928 80.0 8.940 8.940 6.153 0.000 -0.000 -0.000 3/32928 90.0 7.826 7.826 5.369 0.000 -0.000 -0.000 3/32928 100.0 6.972 6.972 4.775 0.000 -0.000 -0.000 3/32928 110.0 6.296 6.296 4.307 0.000 -0.000 -0.000 3/32928 120.0 5.746 5.746 3.929 0.000 -0.000 -0.000 3/32928 130.0 5.288 5.288 3.615 0.000 -0.000 -0.000 3/32928 140.0 4.901 4.901 3.349 0.000 -0.000 -0.000 3/32928 150.0 4.568 4.568 3.122 0.000 -0.000 -0.000 3/32928 160.0 4.278 4.278 2.924 0.000 -0.000 -0.000 3/32928 170.0 4.024 4.024 2.751 0.000 -0.000 -0.000 3/32928 180.0 3.800 3.800 2.597 0.000 -0.000 -0.000 3/32928 190.0 3.599 3.599 2.460 0.000 -0.000 -0.000 3/32928 200.0 3.419 3.419 2.337 0.000 -0.000 -0.000 3/32928 210.0 3.256 3.256 2.226 0.000 -0.000 -0.000 3/32928 220.0 3.108 3.108 2.125 0.000 -0.000 -0.000 3/32928 230.0 2.973 2.973 2.033 0.000 -0.000 -0.000 3/32928 240.0 2.850 2.850 1.949 0.000 -0.000 -0.000 3/32928 250.0 2.736 2.736 1.871 0.000 -0.000 -0.000 3/32928 260.0 2.631 2.631 1.800 0.000 -0.000 -0.000 3/32928 270.0 2.534 2.534 1.733 0.000 -0.000 -0.000 3/32928 280.0 2.444 2.444 1.672 0.000 -0.000 -0.000 3/32928 290.0 2.360 2.360 1.614 0.000 -0.000 -0.000 3/32928 300.0 2.282 2.282 1.561 0.000 -0.000 -0.000 3/32928 310.0 2.209 2.209 1.511 0.000 -0.000 -0.000 3/32928 320.0 2.140 2.140 1.464 0.000 -0.000 -0.000 3/32928 330.0 2.075 2.075 1.420 0.000 -0.000 -0.000 3/32928 340.0 2.015 2.015 1.378 0.000 -0.000 -0.000 3/32928 350.0 1.957 1.957 1.339 0.000 -0.000 -0.000 3/32928 360.0 1.903 1.903 1.302 0.000 -0.000 -0.000 3/32928 370.0 1.852 1.852 1.267 0.000 -0.000 -0.000 3/32928 380.0 1.804 1.804 1.234 0.000 -0.000 -0.000 3/32928 390.0 1.758 1.758 1.202 0.000 -0.000 -0.000 3/32928 400.0 1.714 1.714 1.172 0.000 -0.000 -0.000 3/32928 410.0 1.672 1.672 1.144 0.000 -0.000 -0.000 3/32928 420.0 1.633 1.633 1.117 0.000 -0.000 -0.000 3/32928 430.0 1.595 1.595 1.091 0.000 -0.000 -0.000 3/32928 440.0 1.559 1.559 1.066 0.000 -0.000 -0.000 3/32928 450.0 1.524 1.524 1.043 0.000 -0.000 -0.000 3/32928 460.0 1.491 1.491 1.020 0.000 -0.000 -0.000 3/32928 470.0 1.460 1.460 0.999 0.000 -0.000 -0.000 3/32928 480.0 1.430 1.430 0.978 0.000 -0.000 -0.000 3/32928 490.0 1.401 1.401 0.958 0.000 -0.000 -0.000 3/32928 500.0 1.373 1.373 0.939 0.000 -0.000 -0.000 3/32928 510.0 1.346 1.346 0.921 0.000 -0.000 -0.000 3/32928 520.0 1.320 1.320 0.903 0.000 -0.000 -0.000 3/32928 530.0 1.295 1.295 0.886 0.000 -0.000 -0.000 3/32928 540.0 1.271 1.271 0.870 0.000 -0.000 -0.000 3/32928 550.0 1.248 1.248 0.854 0.000 -0.000 -0.000 3/32928 560.0 1.226 1.226 0.839 0.000 -0.000 -0.000 3/32928 570.0 1.205 1.205 0.824 0.000 -0.000 -0.000 3/32928 580.0 1.184 1.184 0.810 0.000 -0.000 -0.000 3/32928 590.0 1.164 1.164 0.796 0.000 -0.000 -0.000 3/32928 600.0 1.145 1.145 0.783 0.000 -0.000 -0.000 3/32928 610.0 1.126 1.126 0.770 0.000 -0.000 -0.000 3/32928 620.0 1.108 1.108 0.758 0.000 -0.000 -0.000 3/32928 630.0 1.090 1.090 0.746 0.000 -0.000 -0.000 3/32928 640.0 1.073 1.073 0.734 0.000 -0.000 -0.000 3/32928 650.0 1.057 1.057 0.723 0.000 -0.000 -0.000 3/32928 660.0 1.041 1.041 0.712 0.000 -0.000 -0.000 3/32928 670.0 1.026 1.026 0.701 0.000 -0.000 -0.000 3/32928 680.0 1.011 1.011 0.691 0.000 -0.000 -0.000 3/32928 690.0 0.996 0.996 0.681 0.000 -0.000 -0.000 3/32928 700.0 0.982 0.982 0.671 0.000 -0.000 -0.000 3/32928 710.0 0.968 0.968 0.662 0.000 -0.000 -0.000 3/32928 720.0 0.955 0.955 0.653 0.000 -0.000 -0.000 3/32928 730.0 0.942 0.942 0.644 0.000 -0.000 -0.000 3/32928 740.0 0.929 0.929 0.635 0.000 -0.000 -0.000 3/32928 750.0 0.917 0.917 0.627 0.000 -0.000 -0.000 3/32928 760.0 0.904 0.904 0.619 0.000 -0.000 -0.000 3/32928 770.0 0.893 0.893 0.611 0.000 -0.000 -0.000 3/32928 780.0 0.881 0.881 0.603 0.000 -0.000 -0.000 3/32928 790.0 0.870 0.870 0.595 0.000 -0.000 -0.000 3/32928 800.0 0.859 0.859 0.588 0.000 -0.000 -0.000 3/32928 810.0 0.849 0.849 0.580 0.000 -0.000 -0.000 3/32928 820.0 0.839 0.839 0.573 0.000 -0.000 -0.000 3/32928 830.0 0.828 0.828 0.567 0.000 -0.000 -0.000 3/32928 840.0 0.819 0.819 0.560 0.000 -0.000 -0.000 3/32928 850.0 0.809 0.809 0.553 0.000 -0.000 -0.000 3/32928 860.0 0.800 0.800 0.547 0.000 -0.000 -0.000 3/32928 870.0 0.790 0.790 0.541 0.000 -0.000 -0.000 3/32928 880.0 0.781 0.781 0.534 0.000 -0.000 -0.000 3/32928 890.0 0.773 0.773 0.528 0.000 -0.000 -0.000 3/32928 900.0 0.764 0.764 0.523 0.000 -0.000 -0.000 3/32928 910.0 0.756 0.756 0.517 0.000 -0.000 -0.000 3/32928 920.0 0.748 0.748 0.511 0.000 -0.000 -0.000 3/32928 930.0 0.740 0.740 0.506 0.000 -0.000 -0.000 3/32928 940.0 0.732 0.732 0.500 0.000 -0.000 -0.000 3/32928 950.0 0.724 0.724 0.495 0.000 -0.000 -0.000 3/32928 960.0 0.717 0.717 0.490 0.000 -0.000 -0.000 3/32928 970.0 0.709 0.709 0.485 0.000 -0.000 -0.000 3/32928 980.0 0.702 0.702 0.480 0.000 -0.000 -0.000 3/32928 990.0 0.695 0.695 0.475 0.000 -0.000 -0.000 3/32928 1000.0 0.688 0.688 0.470 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:20:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|