# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/816df803-d6f7-4c3d-b856-1e83dfd10922/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 TbLiSe2 / R-3m (166) / materials id 15793](https://mdr.nims.go.jp/datasets/0d7eb406-6705-4ef8-902b-dddcf17f89ae) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:43:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.014208390322270 1.162903756356563 6.379572343333326 b -2.014208390322266 1.162903756356563 6.379572343333326 c 0.000000000000002 -2.325807512713129 6.379572343333326Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 Se 0.24793931973319 0.24793931973319 0.24793931973319 78.960 3 Se 0.75206068026681 0.75206068026681 0.75206068026682 78.960 *4 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.028416780644536 0.000000000000000 0.000000000000000 b -2.014208390322268 3.488711269069692 0.000000000000000 c 0.000000000000000 0.000000000000000 19.138717029999999Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 Se 0.00000000000000 0.00000000000000 0.24793931973319 78.960 > 2 5 Se 0.66666666666667 0.33333333333333 0.08539401360015 78.960 > 3 6 Se 0.66666666666667 0.33333333333333 0.58127265306652 78.960 > 2 7 Se 0.33333333333333 0.66666666666667 0.41872734693348 78.960 > 3 8 Se 0.33333333333333 0.66666666666667 0.91460598639985 78.960 > 2 9 Se 0.00000000000000 0.00000000000000 0.75206068026682 78.960 > 3 *10 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 4 11 Tb 0.66666666666667 0.33333333333333 0.33333333333333 158.925 > 4 12 Tb 0.33333333333333 0.66666666666667 0.66666666666667 158.925 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.085250341933607 0.000000000000000 0.000000000000000 b -6.042625170966804 10.466133807209076 0.000000000000000 c 0.000000000000000 0.000000000000000 19.138717029999999Atomic positions (fractional): *1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 *28 Se 0.00000000000000 0.00000000000000 0.24793931973319 78.960 > 2 29 Se 0.33333333333333 0.00000000000000 0.24793931973319 78.960 > 2 30 Se 0.66666666666667 0.00000000000000 0.24793931973319 78.960 > 2 31 Se 0.00000000000000 0.33333333333333 0.24793931973319 78.960 > 2 32 Se 0.33333333333333 0.33333333333333 0.24793931973319 78.960 > 2 33 Se 0.66666666666667 0.33333333333333 0.24793931973319 78.960 > 2 34 Se 0.00000000000000 0.66666666666667 0.24793931973319 78.960 > 2 35 Se 0.33333333333333 0.66666666666667 0.24793931973319 78.960 > 2 36 Se 0.66666666666667 0.66666666666667 0.24793931973319 78.960 > 2 37 Se 0.22222222222222 0.11111111111111 0.08539401360015 78.960 > 3 38 Se 0.55555555555556 0.11111111111111 0.08539401360015 78.960 > 3 39 Se 0.88888888888889 0.11111111111111 0.08539401360015 78.960 > 3 40 Se 0.22222222222222 0.44444444444444 0.08539401360015 78.960 > 3 41 Se 0.55555555555556 0.44444444444444 0.08539401360015 78.960 > 3 42 Se 0.88888888888889 0.44444444444444 0.08539401360015 78.960 > 3 43 Se 0.22222222222222 0.77777777777778 0.08539401360015 78.960 > 3 44 Se 0.55555555555556 0.77777777777778 0.08539401360015 78.960 > 3 45 Se 0.88888888888889 0.77777777777778 0.08539401360015 78.960 > 3 46 Se 0.22222222222222 0.11111111111111 0.58127265306652 78.960 > 2 47 Se 0.55555555555556 0.11111111111111 0.58127265306652 78.960 > 2 48 Se 0.88888888888889 0.11111111111111 0.58127265306652 78.960 > 2 49 Se 0.22222222222222 0.44444444444444 0.58127265306652 78.960 > 2 50 Se 0.55555555555556 0.44444444444444 0.58127265306652 78.960 > 2 51 Se 0.88888888888889 0.44444444444444 0.58127265306652 78.960 > 2 52 Se 0.22222222222222 0.77777777777778 0.58127265306652 78.960 > 2 53 Se 0.55555555555556 0.77777777777778 0.58127265306652 78.960 > 2 54 Se 0.88888888888889 0.77777777777778 0.58127265306652 78.960 > 2 55 Se 0.11111111111111 0.22222222222222 0.41872734693348 78.960 > 3 56 Se 0.44444444444444 0.22222222222222 0.41872734693348 78.960 > 3 57 Se 0.77777777777778 0.22222222222222 0.41872734693348 78.960 > 3 58 Se 0.11111111111111 0.55555555555556 0.41872734693348 78.960 > 3 59 Se 0.44444444444444 0.55555555555556 0.41872734693348 78.960 > 3 60 Se 0.77777777777778 0.55555555555556 0.41872734693348 78.960 > 3 61 Se 0.11111111111111 0.88888888888889 0.41872734693348 78.960 > 3 62 Se 0.44444444444444 0.88888888888889 0.41872734693348 78.960 > 3 63 Se 0.77777777777778 0.88888888888889 0.41872734693348 78.960 > 3 64 Se 0.11111111111111 0.22222222222222 0.91460598639985 78.960 > 2 65 Se 0.44444444444444 0.22222222222222 0.91460598639985 78.960 > 2 66 Se 0.77777777777778 0.22222222222222 0.91460598639985 78.960 > 2 67 Se 0.11111111111111 0.55555555555556 0.91460598639985 78.960 > 2 68 Se 0.44444444444444 0.55555555555556 0.91460598639985 78.960 > 2 69 Se 0.77777777777778 0.55555555555556 0.91460598639985 78.960 > 2 70 Se 0.11111111111111 0.88888888888889 0.91460598639985 78.960 > 2 71 Se 0.44444444444444 0.88888888888889 0.91460598639985 78.960 > 2 72 Se 0.77777777777778 0.88888888888889 0.91460598639985 78.960 > 2 73 Se 0.00000000000000 0.00000000000000 0.75206068026682 78.960 > 3 74 Se 0.33333333333333 0.00000000000000 0.75206068026682 78.960 > 3 75 Se 0.66666666666667 0.00000000000000 0.75206068026682 78.960 > 3 76 Se 0.00000000000000 0.33333333333333 0.75206068026682 78.960 > 3 77 Se 0.33333333333333 0.33333333333333 0.75206068026682 78.960 > 3 78 Se 0.66666666666667 0.33333333333333 0.75206068026682 78.960 > 3 79 Se 0.00000000000000 0.66666666666667 0.75206068026682 78.960 > 3 80 Se 0.33333333333333 0.66666666666667 0.75206068026682 78.960 > 3 81 Se 0.66666666666667 0.66666666666667 0.75206068026682 78.960 > 3 *82 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 4 83 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 4 84 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 4 85 Tb 0.00000000000000 0.33333333333333 0.00000000000000 158.925 > 4 86 Tb 0.33333333333333 0.33333333333333 0.00000000000000 158.925 > 4 87 Tb 0.66666666666667 0.33333333333333 0.00000000000000 158.925 > 4 88 Tb 0.00000000000000 0.66666666666667 0.00000000000000 158.925 > 4 89 Tb 0.33333333333333 0.66666666666667 0.00000000000000 158.925 > 4 90 Tb 0.66666666666667 0.66666666666667 0.00000000000000 158.925 > 4 91 Tb 0.22222222222222 0.11111111111111 0.33333333333333 158.925 > 4 92 Tb 0.55555555555556 0.11111111111111 0.33333333333333 158.925 > 4 93 Tb 0.88888888888889 0.11111111111111 0.33333333333333 158.925 > 4 94 Tb 0.22222222222222 0.44444444444444 0.33333333333333 158.925 > 4 95 Tb 0.55555555555556 0.44444444444444 0.33333333333333 158.925 > 4 96 Tb 0.88888888888889 0.44444444444444 0.33333333333333 158.925 > 4 97 Tb 0.22222222222222 0.77777777777778 0.33333333333333 158.925 > 4 98 Tb 0.55555555555556 0.77777777777778 0.33333333333333 158.925 > 4 99 Tb 0.88888888888889 0.77777777777778 0.33333333333333 158.925 > 4 100 Tb 0.11111111111111 0.22222222222222 0.66666666666667 158.925 > 4 101 Tb 0.44444444444444 0.22222222222222 0.66666666666667 158.925 > 4 102 Tb 0.77777777777778 0.22222222222222 0.66666666666667 158.925 > 4 103 Tb 0.11111111111111 0.55555555555556 0.66666666666667 158.925 > 4 104 Tb 0.44444444444444 0.55555555555556 0.66666666666667 158.925 > 4 105 Tb 0.77777777777778 0.55555555555556 0.66666666666667 158.925 > 4 106 Tb 0.11111111111111 0.88888888888889 0.66666666666667 158.925 > 4 107 Tb 0.44444444444444 0.88888888888889 0.66666666666667 158.925 > 4 108 Tb 0.77777777777778 0.88888888888889 0.66666666666667 158.925 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.3020964 -0.0000000 0.0000000 0.0000000 8.3020964 0.0000000 0.0000000 0.0000000 6.4050715-------------------------- Born effective charges -------------------------- 1 Li 1.2864056 0.0000000 0.0000000 0.0000000 1.2864056 0.0000000 0.0000000 0.0000000 1.7202096 2 Se -2.9375495 0.0000000 0.0000000 0.0000000 -2.9375495 0.0000000 0.0000000 0.0000000 -2.0591873 3 Se -2.9375495 0.0000000 0.0000000 0.0000000 -2.9375495 0.0000000 0.0000000 0.0000000 -2.0591873 4 Tb 4.5886934 -0.0000000 0.0000000 0.0000000 4.5886934 0.0000000 0.0000000 0.0000000 2.3981650----------------------------------------------------------------------------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: 177Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.007Solver_block: 80 / 80 - Time: 0.187Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.212--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 177Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 01:43:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:43:08]-------------------------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 2.014208390322270 1.162903756356563 6.379572343333326 b -2.014208390322266 1.162903756356563 6.379572343333326 c 0.000000000000002 -2.325807512713129 6.379572343333326Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.24793931973319 0.24793931973319 0.24793931973319 78.960 3 Se 0.75206068026681 0.75206068026681 0.75206068026682 78.960 4 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925-------------------------------- supercell ---------------------------------Lattice vectors: a 12.085250341933607 0.000000000000000 0.000000000000000 b -6.042625170966804 10.466133807209076 0.000000000000000 c 0.000000000000000 0.000000000000000 19.138717029999999Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.00000000000000 0.00000000000000 0.24793931973319 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.24793931973319 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.24793931973319 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.24793931973319 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.24793931973319 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.24793931973319 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.24793931973319 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.24793931973319 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.24793931973319 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.08539401360015 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.08539401360015 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.08539401360015 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.08539401360015 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.08539401360015 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.08539401360015 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.08539401360015 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.08539401360015 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.08539401360015 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.58127265306652 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.58127265306652 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.58127265306652 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.58127265306652 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.58127265306652 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.58127265306652 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.58127265306652 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.58127265306652 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.58127265306652 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.41872734693348 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.41872734693348 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.41872734693348 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.41872734693348 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.41872734693348 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.41872734693348 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.41872734693348 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.41872734693348 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.41872734693348 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.91460598639985 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.91460598639985 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.91460598639985 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.91460598639985 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.91460598639985 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.91460598639985 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.91460598639985 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.91460598639985 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.91460598639985 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.75206068026682 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.75206068026682 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.75206068026682 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.75206068026682 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.75206068026682 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.75206068026682 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.75206068026682 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.75206068026682 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.75206068026682 78.960 > 37 82 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 82 83 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 82 84 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 82 85 Tb 0.00000000000000 0.33333333333333 0.00000000000000 158.925 > 82 86 Tb 0.33333333333333 0.33333333333333 0.00000000000000 158.925 > 82 87 Tb 0.66666666666667 0.33333333333333 0.00000000000000 158.925 > 82 88 Tb 0.00000000000000 0.66666666666667 0.00000000000000 158.925 > 82 89 Tb 0.33333333333333 0.66666666666667 0.00000000000000 158.925 > 82 90 Tb 0.66666666666667 0.66666666666667 0.00000000000000 158.925 > 82 91 Tb 0.22222222222222 0.11111111111111 0.33333333333333 158.925 > 82 92 Tb 0.55555555555556 0.11111111111111 0.33333333333333 158.925 > 82 93 Tb 0.88888888888889 0.11111111111111 0.33333333333333 158.925 > 82 94 Tb 0.22222222222222 0.44444444444444 0.33333333333333 158.925 > 82 95 Tb 0.55555555555556 0.44444444444444 0.33333333333333 158.925 > 82 96 Tb 0.88888888888889 0.44444444444444 0.33333333333333 158.925 > 82 97 Tb 0.22222222222222 0.77777777777778 0.33333333333333 158.925 > 82 98 Tb 0.55555555555556 0.77777777777778 0.33333333333333 158.925 > 82 99 Tb 0.88888888888889 0.77777777777778 0.33333333333333 158.925 > 82 100 Tb 0.11111111111111 0.22222222222222 0.66666666666667 158.925 > 82 101 Tb 0.44444444444444 0.22222222222222 0.66666666666667 158.925 > 82 102 Tb 0.77777777777778 0.22222222222222 0.66666666666667 158.925 > 82 103 Tb 0.11111111111111 0.55555555555556 0.66666666666667 158.925 > 82 104 Tb 0.44444444444444 0.55555555555556 0.66666666666667 158.925 > 82 105 Tb 0.77777777777778 0.55555555555556 0.66666666666667 158.925 > 82 106 Tb 0.11111111111111 0.88888888888889 0.66666666666667 158.925 > 82 107 Tb 0.44444444444444 0.88888888888889 0.66666666666667 158.925 > 82 108 Tb 0.77777777777778 0.88888888888889 0.66666666666667 158.925 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.3020964 -0.0000000 0.0000000 0.0000000 8.3020964 0.0000000 0.0000000 0.0000000 6.4050715-------------------------- Born effective charges -------------------------- 1 Li 1.2864056 0.0000000 0.0000000 0.0000000 1.2864056 0.0000000 0.0000000 0.0000000 1.7202096 2 Se -2.9375495 0.0000000 0.0000000 0.0000000 -2.9375495 0.0000000 0.0000000 0.0000000 -2.0591873 3 Se -2.9375495 0.0000000 0.0000000 0.0000000 -2.9375495 0.0000000 0.0000000 0.0000000 -2.0591873 4 Tb 4.5886934 -0.0000000 0.0000000 0.0000000 4.5886934 0.0000000 0.0000000 0.0000000 2.3981650----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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 (zxx) 0.00000000 (zxx) 0.00000000 (zxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:43:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:43:14]-------------------------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 2.014208390322270 1.162903756356563 6.379572343333326 b -2.014208390322266 1.162903756356563 6.379572343333326 c 0.000000000000002 -2.325807512713129 6.379572343333326Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.24793931973319 0.24793931973319 0.24793931973319 78.960 3 Se 0.75206068026681 0.75206068026681 0.75206068026682 78.960 4 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925-------------------------------- supercell ---------------------------------Lattice vectors: a 12.085250341933607 0.000000000000000 0.000000000000000 b -6.042625170966804 10.466133807209076 0.000000000000000 c 0.000000000000000 0.000000000000000 19.138717029999999Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.00000000000000 0.00000000000000 0.24793931973319 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.24793931973319 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.24793931973319 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.24793931973319 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.24793931973319 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.24793931973319 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.24793931973319 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.24793931973319 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.24793931973319 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.08539401360015 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.08539401360015 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.08539401360015 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.08539401360015 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.08539401360015 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.08539401360015 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.08539401360015 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.08539401360015 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.08539401360015 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.58127265306652 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.58127265306652 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.58127265306652 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.58127265306652 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.58127265306652 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.58127265306652 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.58127265306652 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.58127265306652 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.58127265306652 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.41872734693348 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.41872734693348 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.41872734693348 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.41872734693348 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.41872734693348 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.41872734693348 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.41872734693348 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.41872734693348 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.41872734693348 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.91460598639985 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.91460598639985 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.91460598639985 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.91460598639985 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.91460598639985 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.91460598639985 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.91460598639985 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.91460598639985 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.91460598639985 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.75206068026682 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.75206068026682 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.75206068026682 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.75206068026682 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.75206068026682 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.75206068026682 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.75206068026682 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.75206068026682 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.75206068026682 78.960 > 37 82 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 82 83 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 82 84 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 82 85 Tb 0.00000000000000 0.33333333333333 0.00000000000000 158.925 > 82 86 Tb 0.33333333333333 0.33333333333333 0.00000000000000 158.925 > 82 87 Tb 0.66666666666667 0.33333333333333 0.00000000000000 158.925 > 82 88 Tb 0.00000000000000 0.66666666666667 0.00000000000000 158.925 > 82 89 Tb 0.33333333333333 0.66666666666667 0.00000000000000 158.925 > 82 90 Tb 0.66666666666667 0.66666666666667 0.00000000000000 158.925 > 82 91 Tb 0.22222222222222 0.11111111111111 0.33333333333333 158.925 > 82 92 Tb 0.55555555555556 0.11111111111111 0.33333333333333 158.925 > 82 93 Tb 0.88888888888889 0.11111111111111 0.33333333333333 158.925 > 82 94 Tb 0.22222222222222 0.44444444444444 0.33333333333333 158.925 > 82 95 Tb 0.55555555555556 0.44444444444444 0.33333333333333 158.925 > 82 96 Tb 0.88888888888889 0.44444444444444 0.33333333333333 158.925 > 82 97 Tb 0.22222222222222 0.77777777777778 0.33333333333333 158.925 > 82 98 Tb 0.55555555555556 0.77777777777778 0.33333333333333 158.925 > 82 99 Tb 0.88888888888889 0.77777777777778 0.33333333333333 158.925 > 82 100 Tb 0.11111111111111 0.22222222222222 0.66666666666667 158.925 > 82 101 Tb 0.44444444444444 0.22222222222222 0.66666666666667 158.925 > 82 102 Tb 0.77777777777778 0.22222222222222 0.66666666666667 158.925 > 82 103 Tb 0.11111111111111 0.55555555555556 0.66666666666667 158.925 > 82 104 Tb 0.44444444444444 0.55555555555556 0.66666666666667 158.925 > 82 105 Tb 0.77777777777778 0.55555555555556 0.66666666666667 158.925 > 82 106 Tb 0.11111111111111 0.88888888888889 0.66666666666667 158.925 > 82 107 Tb 0.44444444444444 0.88888888888889 0.66666666666667 158.925 > 82 108 Tb 0.77777777777778 0.88888888888889 0.66666666666667 158.925 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.3020964 -0.0000000 0.0000000 0.0000000 8.3020964 0.0000000 0.0000000 0.0000000 6.4050715-------------------------- Born effective charges -------------------------- 1 Li 1.2864056 0.0000000 0.0000000 0.0000000 1.2864056 0.0000000 0.0000000 0.0000000 1.7202096 2 Se -2.9375495 0.0000000 0.0000000 0.0000000 -2.9375495 0.0000000 0.0000000 0.0000000 -2.0591873 3 Se -2.9375495 0.0000000 0.0000000 0.0000000 -2.9375495 0.0000000 0.0000000 0.0000000 -2.0591873 4 Tb 4.5886934 -0.0000000 0.0000000 0.0000000 4.5886934 0.0000000 0.0000000 0.0000000 2.3981650----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zxx) 0.00000000 (zxx) 0.00000000 (zxx)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 ... [ 15 15 15 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 311, Lambda: 0.27Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.387 ( 16.956 9.790 4.726) 20.142 0.408 ( 17.978 10.379 1.719) 20.830 0.745 ( 32.478 18.751 4.370) 37.756 3.504 ( 0.694 0.401 0.902) 1.207 3.935 ( 1.850 1.068 -10.691) 10.902 3.976 ( -0.118 -0.068 -0.910) 0.920 4.086 ( 6.981 4.031 -0.409) 8.072 4.603 ( -2.662 -1.537 14.323) 14.649 4.994 ( -0.997 -0.576 -0.155) 1.162 5.456 ( 0.935 0.540 2.551) 2.770 7.377 ( 4.328 2.499 -49.969) 50.218 7.881 ( -14.008 -8.087 49.602) 52.173======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.782 ( 17.347 10.015 3.910) 20.409 0.800 ( 17.001 9.815 0.887) 19.651 1.450 ( 30.071 17.362 2.083) 34.786 3.533 ( 1.486 0.858 1.712) 2.424 3.968 ( 3.586 2.070 -5.862) 7.177 3.970 ( 0.008 0.004 -1.309) 1.309 4.269 ( 8.694 5.020 4.300) 10.921 4.584 ( -2.320 -1.340 5.870) 6.453 4.967 ( -1.293 -0.746 -0.232) 1.511 5.491 ( 1.048 0.605 3.477) 3.682 7.244 ( -7.088 -4.092 -10.960) 13.679 7.697 ( -10.843 -6.260 6.146) 13.948======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 14.967 8.641 -0.307) 17.285 1.173 ( 16.868 9.739 2.622) 19.653 2.070 ( 25.580 14.769 -0.829) 29.549 3.583 ( 2.468 1.425 2.352) 3.696 3.969 ( 0.242 0.140 -1.167) 1.200 4.040 ( 3.828 2.210 -1.512) 4.671 4.475 ( 6.132 3.541 9.164) 11.581 4.557 ( 0.276 0.159 1.420) 1.455 4.940 ( -0.655 -0.378 -1.703) 1.863 5.517 ( 0.234 0.135 2.401) 2.417 6.976 ( -16.292 -9.406 5.343) 19.556 7.470 ( -7.831 -4.521 -16.058) 18.429======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.447 ( 11.478 6.627 -1.581) 13.347 1.532 ( 14.717 8.497 1.142) 17.032 2.556 ( 18.717 10.806 -2.731) 21.784 3.659 ( 3.607 2.082 2.716) 4.972 3.972 ( 0.351 0.203 -0.716) 0.823 4.122 ( 3.309 1.910 3.472) 5.163 4.508 ( -0.504 -0.291 1.780) 1.872 4.681 ( 3.885 2.243 9.593) 10.590 4.949 ( 3.234 1.867 -3.593) 5.182 5.513 ( -1.005 -0.580 0.185) 1.175 6.581 ( -20.681 -11.940 5.903) 24.599 7.244 ( -6.492 -3.748 -23.091) 24.277======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( 6.786 3.918 -2.373) 8.187 1.819 ( 11.022 6.363 0.017) 12.727 2.874 ( 11.097 6.407 -1.911) 12.955 3.758 ( 4.384 2.531 2.508) 5.649 3.978 ( 0.259 0.149 -0.134) 0.328 4.215 ( 3.280 1.894 7.403) 8.315 4.513 ( 0.608 0.351 0.058) 0.704 4.737 ( 0.397 0.229 3.757) 3.785 5.066 ( 6.443 3.720 1.681) 7.627 5.476 ( -1.942 -1.121 -1.762) 2.852 6.131 ( -20.520 -11.847 0.389) 23.697 7.028 ( -5.753 -3.322 -21.720) 22.713======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 2.546 1.470 -2.019) 3.566 2.014 ( 6.652 3.841 -0.360) 7.689 3.052 ( 5.681 3.280 0.204) 6.563 3.859 ( 3.932 2.270 1.427) 4.759 3.981 ( -0.028 -0.016 0.498) 0.499 4.297 ( 1.214 0.701 8.150) 8.269 4.532 ( 1.246 0.720 -1.262) 1.914 4.783 ( 3.970 2.292 0.420) 4.603 5.190 ( 2.967 1.713 3.700) 5.042 5.424 ( -1.935 -1.117 -2.249) 3.170 5.708 ( -16.224 -9.367 -4.217) 19.203 6.852 ( -4.079 -2.355 -15.381) 16.086======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 0.437 0.252 -0.741) 0.897 2.111 ( 2.212 1.277 -0.173) 2.560 3.136 ( 1.872 1.081 0.527) 2.225 3.929 ( 1.913 1.105 0.038) 2.210 3.979 ( -0.377 -0.218 0.696) 0.821 4.323 ( -0.262 -0.151 3.241) 3.255 4.552 ( 0.695 0.401 -0.564) 0.981 4.919 ( 7.096 4.097 1.412) 8.314 5.168 ( -5.893 -3.402 -0.029) 6.805 5.386 ( -0.816 -0.471 -1.008) 1.380 5.456 ( -4.245 -2.451 -2.301) 5.415 6.752 ( -1.452 -0.839 -5.536) 5.784======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.390 ( -0.000 18.683 5.082) 19.362 0.421 ( -0.000 19.907 4.845) 20.488 0.781 ( -0.000 36.297 10.411) 37.761 3.495 ( 0.000 0.353 -0.804) 0.878 3.939 ( 0.000 8.413 -14.619) 16.867 3.976 ( 0.000 -0.022 -0.899) 0.899 4.013 ( 0.000 4.934 -4.305) 6.548 4.662 ( -0.000 -8.400 20.286) 21.956 4.994 ( -0.000 -1.161 0.059) 1.162 5.435 ( 0.000 0.096 -1.322) 1.326 7.169 ( 0.000 13.555 -49.745) 51.558 8.126 ( -0.000 -23.919 55.571) 60.500======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 10.600 16.429 4.409) 20.043 0.708 ( 9.509 16.584 3.824) 19.496 1.298 ( 16.173 30.537 6.409) 35.144 3.516 ( 1.882 0.560 0.229) 1.977 3.893 ( -0.832 0.696 -3.957) 4.103 4.042 ( -0.991 7.327 -6.042) 9.548 4.148 ( 11.371 3.559 -0.790) 11.941 4.627 ( -2.252 -4.422 9.498) 10.717 4.976 ( -0.791 -1.159 0.277) 1.430 5.462 ( 2.768 -0.832 0.577) 2.947 7.150 ( 3.151 -1.524 -24.127) 24.380 7.932 ( -15.794 -11.626 25.880) 32.471======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 11.811 13.298 0.775) 17.802 1.056 ( 12.852 14.633 4.373) 19.961 1.872 ( 19.209 23.430 1.668) 30.344 3.565 ( 2.451 1.416 1.545) 3.225 3.902 ( 2.891 -0.945 -1.396) 3.347 4.083 ( -0.611 7.983 -4.569) 9.218 4.384 ( 11.684 3.866 4.365) 13.059 4.574 ( -2.358 -3.044 3.608) 5.277 4.950 ( -1.303 -0.725 -0.402) 1.544 5.494 ( 1.985 -1.975 1.428) 3.143 7.044 ( -3.082 -9.587 -8.252) 13.020 7.612 ( -18.073 -5.826 3.286) 19.271======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 10.813 9.554 -1.046) 14.467 1.419 ( 12.560 13.744 2.615) 18.801 2.367 ( 17.338 16.019 -1.752) 23.671 3.635 ( 3.043 2.306 2.354) 4.486 3.947 ( 2.674 0.411 -0.261) 2.718 4.145 ( 0.720 7.046 -0.728) 7.120 4.520 ( -1.271 -1.954 2.727) 3.587 4.628 ( 9.455 2.631 7.634) 12.433 4.922 ( -0.324 0.477 -3.237) 3.288 5.494 ( 0.634 -3.372 0.431) 3.458 6.797 ( -13.266 -12.342 3.222) 18.404 7.277 ( -13.542 -3.505 -15.599) 20.953======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( 7.992 5.843 -2.450) 10.199 1.738 ( 9.885 12.230 0.964) 15.755 2.731 ( 13.131 8.827 -2.347) 15.995 3.726 ( 3.787 2.871 2.596) 5.415 3.985 ( 0.544 2.208 -0.482) 2.324 4.239 ( 1.909 6.511 4.301) 8.033 4.504 ( 0.329 -0.830 0.624) 1.089 4.748 ( 0.399 -0.812 5.672) 5.744 4.987 ( 7.297 3.316 -0.728) 8.048 5.457 ( -0.305 -4.381 -1.114) 4.531 6.408 ( -21.604 -9.115 3.414) 23.695 7.004 ( -6.967 -4.676 -21.383) 22.970======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 4.369 2.598 -2.787) 5.798 1.978 ( 5.862 10.148 0.004) 11.719 2.962 ( 8.576 3.768 -0.877) 9.409 3.828 ( 3.888 3.080 2.039) 5.363 4.005 ( -0.807 2.583 -0.026) 2.706 4.344 ( 0.381 5.463 7.125) 8.986 4.512 ( 1.143 0.020 -1.253) 1.696 4.754 ( 1.408 0.682 0.458) 1.630 5.139 ( 6.224 0.696 2.376) 6.698 5.404 ( -0.357 -3.408 -1.411) 3.706 5.972 ( -22.658 -3.962 -1.680) 23.063 6.809 ( -2.648 -5.274 -16.459) 17.485======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( 1.693 0.726 -1.956) 2.687 2.124 ( 1.480 7.744 -0.109) 7.885 3.089 ( 4.575 0.753 -0.449) 4.658 3.917 ( 2.489 3.178 0.517) 4.070 4.008 ( -1.623 1.841 0.807) 2.584 4.374 ( -3.055 2.446 3.383) 5.173 4.539 ( 1.526 1.013 -0.576) 1.921 4.845 ( 6.509 3.613 1.162) 7.535 5.168 ( -0.222 -6.321 -1.622) 6.530 5.398 ( 0.589 2.157 1.265) 2.569 5.616 ( -16.307 1.112 -3.274) 16.669 6.707 ( 0.970 -4.294 -7.044) 8.306======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( 0.549 0.037 -0.630) 0.837 2.174 ( -2.942 5.254 0.254) 6.027 3.126 ( 0.846 -1.597 -1.690) 2.474 3.965 ( -1.160 2.795 -0.602) 3.085 3.990 ( -1.252 0.454 0.273) 1.359 4.348 ( -2.764 2.797 -2.084) 4.450 4.559 ( 0.008 0.195 0.462) 0.502 4.969 ( -1.419 -1.762 0.155) 2.267 5.080 ( 3.875 -1.826 -0.862) 4.369 5.442 ( -5.953 3.673 -0.633) 7.023 5.468 ( 1.375 5.401 1.985) 5.917 6.711 ( 4.221 -2.784 3.608) 6.212======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( -0.654 -0.768 0.677) 1.215 2.128 ( -7.461 2.685 0.668) 7.957 3.080 ( -2.389 -3.557 -2.157) 4.797 3.908 ( -4.423 -1.395 -1.215) 4.794 3.999 ( -0.696 2.606 -0.837) 2.824 4.323 ( -2.957 4.027 -6.035) 7.835 4.548 ( -1.098 -0.757 0.656) 1.486 4.837 ( -5.808 -3.497 -0.138) 6.781 5.170 ( 2.833 -1.737 -1.117) 3.506 5.398 ( -0.367 -0.315 1.396) 1.477 5.648 ( 7.922 13.606 2.838) 15.998 6.815 ( 6.993 -1.303 12.987) 14.808======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( -3.968 -2.498 1.387) 4.890 1.981 ( -12.058 -0.135 0.663) 12.077 2.965 ( -6.116 -5.326 -0.266) 8.115 3.805 ( -4.816 -2.295 -2.293) 5.806 4.002 ( -1.613 2.362 -0.617) 2.926 4.273 ( -5.198 4.186 -6.432) 9.269 4.520 ( -1.096 -1.179 0.315) 1.640 4.741 ( -2.697 -1.649 -1.768) 3.622 5.114 ( -4.142 -3.647 -2.072) 5.895 5.427 ( 3.339 -1.939 2.617) 4.664 5.982 ( 13.802 15.460 0.394) 20.728 6.998 ( 8.723 0.063 18.894) 20.810======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -9.086 -4.360 1.060) 10.134 1.732 ( -16.227 -2.880 -0.037) 16.480 2.754 ( -13.381 -7.062 2.011) 15.263 3.699 ( -4.413 -1.797 -2.445) 5.356 3.984 ( -2.060 0.556 -0.887) 2.311 4.203 ( -5.704 4.551 -2.474) 7.705 4.498 ( -0.222 -0.874 -0.671) 1.124 4.674 ( -2.344 -2.315 -7.725) 8.398 5.002 ( -4.256 -2.822 1.752) 5.399 5.469 ( 3.089 -2.302 1.137) 4.016 6.373 ( 16.737 13.288 -3.407) 21.640 7.222 ( 8.953 1.325 19.947) 21.904======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( -13.989 -5.091 0.229) 14.888 1.399 ( -19.124 -4.438 -0.987) 19.657 2.387 ( -23.288 -7.725 1.927) 24.612 3.611 ( -3.454 -1.084 -2.069) 4.170 3.944 ( -1.116 -2.152 -0.765) 2.542 4.161 ( -5.487 5.542 2.073) 8.070 4.479 ( -1.658 -1.772 -5.464) 5.979 4.561 ( -2.749 -3.362 -4.752) 6.438 4.952 ( -1.142 -0.392 2.297) 2.595 5.487 ( 1.567 -2.046 -0.807) 2.700 6.750 ( 17.518 8.851 -5.285) 20.326 7.446 ( 7.998 2.405 15.901) 17.961======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -20.107 -3.862 -1.599) 20.537 1.028 ( -17.984 -3.949 -0.066) 18.412 1.865 ( -31.520 -6.097 0.393) 32.107 3.550 ( -2.322 -0.555 -1.256) 2.698 3.912 ( 0.445 -2.740 0.314) 2.793 4.131 ( -6.137 5.650 4.325) 9.397 4.324 ( -6.999 -5.447 -6.870) 11.218 4.548 ( 1.445 0.026 -1.075) 1.801 4.955 ( 0.692 0.234 0.531) 0.903 5.478 ( -0.053 -1.295 -1.578) 2.042 7.075 ( 16.025 3.645 -2.575) 16.635 7.632 ( 6.416 2.584 7.123) 9.929======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.659 ( -20.486 -0.000 0.000) 20.486 0.691 ( -19.993 -0.000 0.000) 19.993 1.262 ( -36.461 -0.000 0.000) 36.461 3.515 ( -1.332 -0.000 0.000) 1.332 3.914 ( 1.436 0.000 -0.000) 1.436 4.082 ( -5.470 -0.000 0.000) 5.470 4.152 ( -7.029 -0.000 0.000) 7.029 4.566 ( 0.946 0.000 -0.000) 0.946 4.976 ( 1.410 0.000 -0.000) 1.410 5.459 ( -0.854 -0.000 0.000) 0.854 7.329 ( 12.731 0.000 -0.000) 12.731 7.744 ( 4.021 0.000 -0.000) 4.021======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( -0.000 19.403 4.215) 19.855 0.821 ( -0.000 18.431 4.116) 18.885 1.516 ( -0.000 33.798 7.233) 34.563 3.501 ( 0.000 1.048 -1.113) 1.529 3.966 ( 0.000 -0.072 -1.792) 1.794 4.013 ( 0.000 5.425 -3.070) 6.234 4.100 ( 0.000 7.963 -6.918) 10.549 4.627 ( -0.000 -5.275 6.916) 8.698 4.973 ( -0.000 -1.017 0.740) 1.258 5.431 ( 0.000 0.808 -1.841) 2.011 7.028 ( 0.000 -4.642 -15.646) 16.320 8.033 ( -0.000 -13.445 21.281) 25.172======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 5.186 16.928 2.290) 17.853 1.056 ( 7.352 17.534 4.490) 19.536 1.914 ( 7.670 29.131 3.488) 30.325 3.536 ( 2.818 1.613 -0.105) 3.249 3.892 ( -2.590 1.097 -1.714) 3.294 4.148 ( -0.036 7.340 -5.007) 8.885 4.213 ( 12.708 3.661 -0.453) 13.233 4.584 ( -1.458 -4.332 3.247) 5.606 4.962 ( -0.840 -0.406 0.384) 1.009 5.449 ( 1.520 0.023 -0.968) 1.802 6.922 ( 0.603 -11.169 -8.369) 13.970 7.857 ( -13.670 -8.649 10.275) 19.163======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 6.688 12.332 0.438) 14.036 1.391 ( 10.180 17.126 3.610) 20.248 2.310 ( 9.914 20.928 -0.760) 23.170 3.614 ( 3.425 2.618 1.683) 4.628 3.904 ( 2.696 1.607 -1.047) 3.308 4.203 ( 0.159 7.492 -3.545) 8.289 4.470 ( 13.775 1.786 4.309) 14.544 4.530 ( -1.511 -2.922 1.235) 3.514 4.938 ( -1.745 0.322 -1.616) 2.400 5.457 ( 0.305 -1.721 -0.162) 1.756 6.767 ( -1.715 -14.784 -4.182) 15.459 7.524 ( -20.253 -4.234 -1.001) 20.715======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 6.339 8.018 -1.626) 10.350 1.725 ( 9.190 16.221 2.368) 18.793 2.626 ( 9.841 12.018 -2.209) 15.689 3.705 ( 3.323 3.106 2.867) 5.377 3.978 ( 3.263 2.836 -1.862) 4.707 4.285 ( 1.973 7.776 0.271) 8.027 4.496 ( -0.435 -1.368 0.634) 1.569 4.700 ( 8.933 -0.942 7.048) 11.418 4.918 ( 1.118 1.695 -4.588) 5.017 5.427 ( -1.042 -2.566 0.145) 2.773 6.555 ( -6.518 -13.636 -0.670) 15.129 7.129 ( -20.078 -2.331 -11.071) 23.046======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 4.568 4.165 -2.767) 6.772 2.006 ( 5.781 14.895 1.032) 16.011 2.855 ( 8.640 5.418 -0.914) 10.239 3.803 ( 3.666 3.080 3.264) 5.795 4.035 ( 0.878 3.344 -2.253) 4.127 4.412 ( 2.692 7.965 3.471) 9.096 4.489 ( 0.241 -0.460 -0.473) 0.703 4.753 ( -0.299 -0.525 1.650) 1.757 5.010 ( 8.151 -1.484 -2.486) 8.650 5.394 ( -0.835 -0.228 1.269) 1.536 6.277 ( -15.679 -6.802 1.507) 17.157 6.785 ( -10.549 -4.346 -15.354) 19.129======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 2.546 1.658 -2.598) 3.998 2.202 ( 1.433 12.907 0.380) 12.991 3.009 ( 6.011 1.526 -0.081) 6.202 3.904 ( 3.457 3.209 2.611) 5.391 4.057 ( -1.129 2.761 -1.106) 3.182 4.472 ( -2.856 2.401 -1.205) 3.921 4.522 ( 1.792 3.456 2.795) 4.792 4.790 ( 3.959 2.995 0.526) 4.992 5.059 ( 4.012 -6.908 -4.930) 9.387 5.423 ( 0.924 4.302 2.894) 5.266 5.938 ( -20.412 0.563 -0.604) 20.429 6.610 ( 0.172 -6.282 -8.449) 10.530======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( 1.231 0.573 -1.616) 2.111 2.303 ( -2.961 10.586 0.619) 11.010 3.078 ( 2.405 -1.174 -1.246) 2.953 3.987 ( 1.822 3.131 0.665) 3.684 4.037 ( -3.066 0.989 -0.375) 3.243 4.439 ( -3.700 4.630 -3.262) 6.765 4.564 ( -0.071 1.008 1.836) 2.096 4.923 ( 6.220 2.368 1.923) 6.928 5.005 ( 0.811 -6.091 -4.608) 7.681 5.508 ( 1.699 6.496 1.890) 6.975 5.655 ( -15.063 4.292 -0.802) 15.683 6.594 ( 5.719 -5.627 1.565) 8.174======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 0.350 -0.050 -0.474) 0.592 2.310 ( -7.509 8.099 1.247) 11.114 3.061 ( -0.738 -3.307 -2.759) 4.369 3.955 ( -3.967 -2.747 -1.989) 5.219 4.045 ( -0.621 4.834 -0.103) 4.874 4.420 ( -3.829 6.838 -4.338) 8.957 4.558 ( -1.058 -0.674 0.593) 1.388 4.889 ( -3.894 -3.798 -0.931) 5.518 5.077 ( 5.904 -0.986 1.790) 6.248 5.475 ( -7.491 1.617 -0.459) 7.677 5.677 ( 4.809 12.585 1.115) 13.518 6.691 ( 9.165 -4.457 9.782) 14.126======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( -1.619 -1.092 0.342) 1.983 2.213 ( -12.401 4.993 1.455) 13.447 2.983 ( -2.807 -4.588 -2.380) 5.882 3.847 ( -4.284 -3.164 -2.468) 5.870 4.068 ( -2.098 4.774 -0.515) 5.240 4.401 ( -5.039 7.193 -4.722) 9.971 4.528 ( -1.391 -1.321 0.245) 1.934 4.786 ( -4.861 -2.042 0.479) 5.294 5.107 ( 0.136 -4.035 -0.317) 4.049 5.402 ( -1.973 -0.302 1.454) 2.470 5.935 ( 9.871 14.191 -0.578) 17.296 6.872 ( 11.605 -2.984 14.367) 18.709======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( -5.699 -2.172 0.431) 6.114 2.004 ( -16.887 1.428 0.788) 16.966 2.863 ( -6.331 -4.549 -0.221) 7.799 3.745 ( -4.064 -2.026 -1.909) 4.926 4.056 ( -4.136 3.334 -0.766) 5.367 4.356 ( -6.284 6.065 -1.657) 8.889 4.497 ( -1.051 -0.625 -0.023) 1.223 4.684 ( -4.705 -2.626 -3.675) 6.522 5.036 ( -2.815 -3.411 0.205) 4.427 5.404 ( 2.007 -1.744 1.748) 3.182 6.243 ( 12.616 11.262 -2.116) 17.043 7.104 ( 12.410 -1.161 13.819) 18.610======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( -10.760 -2.061 0.074) 10.956 1.700 ( -19.866 -0.717 0.017) 19.878 2.660 ( -14.622 -3.147 0.854) 14.982 3.659 ( -3.951 -0.823 -1.032) 4.166 3.988 ( -5.308 0.591 -0.860) 5.410 4.317 ( -5.217 5.359 2.606) 7.920 4.480 ( -1.463 0.221 -1.082) 1.833 4.552 ( -3.742 -4.629 -5.591) 8.166 4.979 ( -1.881 -0.881 1.214) 2.406 5.432 ( 2.569 -1.461 0.396) 2.982 6.543 ( 14.564 5.675 -2.184) 15.783 7.340 ( 11.415 0.251 8.377) 14.161======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( -15.075 -0.000 0.000) 15.075 1.353 ( -21.059 -0.000 0.000) 21.059 2.316 ( -24.986 -0.000 0.000) 24.986 3.593 ( -3.368 -0.000 0.000) 3.368 3.917 ( -2.670 -0.000 0.000) 2.670 4.275 ( -5.320 -0.000 0.000) 5.320 4.381 ( -6.216 -0.000 0.000) 6.216 4.522 ( 1.333 0.000 -0.000) 1.333 4.957 ( -0.708 -0.000 0.000) 0.708 5.459 ( 1.376 0.000 -0.000) 1.376 6.819 ( 16.117 0.000 -0.000) 16.117 7.529 ( 9.121 0.000 -0.000) 9.121======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 0.000 15.647 2.592) 15.860 1.185 ( 0.000 19.434 3.183) 19.693 2.151 ( 0.000 28.320 2.540) 28.433 3.523 ( 0.000 2.136 -1.007) 2.361 3.952 ( 0.000 0.232 -2.009) 2.023 4.087 ( -0.000 2.305 1.776) 2.910 4.214 ( 0.000 8.861 -6.377) 10.917 4.563 ( -0.000 -4.059 1.611) 4.367 4.971 ( -0.000 0.372 0.182) 0.414 5.445 ( 0.000 1.945 -1.534) 2.477 6.771 ( 0.000 -14.903 -4.204) 15.485 7.919 ( -0.000 -8.757 7.413) 11.473======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( 2.327 12.867 1.116) 13.123 1.434 ( 6.321 18.407 2.900) 19.677 2.422 ( 2.251 22.169 -0.731) 22.295 3.580 ( 3.914 3.104 -0.005) 4.996 3.906 ( -2.027 1.150 -0.940) 2.513 4.217 ( 7.241 1.016 -0.035) 7.312 4.306 ( 5.489 7.516 -1.823) 9.483 4.526 ( -0.795 -2.613 0.742) 2.830 4.966 ( -1.275 1.081 -1.229) 2.075 5.457 ( -0.498 1.492 -0.757) 1.746 6.606 ( 0.297 -17.443 -2.870) 17.680 7.758 ( -12.198 -6.189 2.028) 13.828======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( 3.155 8.914 -0.908) 9.500 1.746 ( 8.963 17.299 2.670) 19.665 2.633 ( 3.371 13.700 -2.489) 14.326 3.689 ( 4.016 3.845 2.103) 5.944 3.927 ( 3.388 1.346 -2.179) 4.247 4.316 ( 2.985 5.415 -1.002) 6.264 4.481 ( 3.792 -1.603 -0.661) 4.170 4.532 ( 7.638 1.982 4.082) 8.884 4.940 ( -2.375 1.723 -3.366) 4.466 5.447 ( -1.859 0.776 0.723) 2.141 6.434 ( 0.357 -16.748 -3.305) 17.075 7.435 ( -20.147 -3.512 -3.315) 20.718======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 3.092 5.075 -2.463) 6.434 2.058 ( 7.545 16.565 1.946) 18.306 2.792 ( 5.208 6.703 -1.196) 8.572 3.791 ( 2.993 3.279 4.019) 5.989 4.003 ( 4.657 1.861 -4.124) 6.494 4.416 ( 2.638 2.923 0.648) 3.990 4.502 ( 1.853 3.200 -0.337) 3.713 4.701 ( 7.158 -1.308 2.973) 7.860 4.911 ( -0.473 1.371 -5.485) 5.673 5.433 ( -1.584 2.194 2.533) 3.707 6.284 ( 0.050 -13.036 -2.242) 13.227 7.026 ( -22.985 -1.839 -7.454) 24.233======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( 2.483 2.396 -2.785) 4.435 2.307 ( 3.222 15.433 0.980) 15.796 2.928 ( 5.890 2.304 0.602) 6.353 3.887 ( 3.405 2.761 4.577) 6.338 4.071 ( 2.114 2.536 -3.325) 4.686 4.446 ( 1.937 -1.307 -2.256) 3.248 4.596 ( 1.050 6.131 2.499) 6.703 4.771 ( 2.469 1.752 0.654) 3.097 4.906 ( 2.902 -3.619 -7.373) 8.711 5.467 ( 0.389 4.662 2.984) 5.549 6.163 ( -4.664 -6.156 2.009) 7.981 6.634 ( -16.237 -2.655 -8.929) 18.720======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 1.713 1.092 -2.095) 2.918 2.463 ( -1.490 13.507 0.882) 13.617 3.019 ( 3.540 -0.550 0.271) 3.593 3.981 ( 2.660 2.556 2.868) 4.673 4.087 ( -1.451 1.397 -0.988) 2.243 4.462 ( 2.072 0.321 -4.609) 5.063 4.637 ( -3.173 4.884 2.946) 6.527 4.849 ( 4.597 -1.067 -2.113) 5.171 4.896 ( 3.788 -1.573 -4.230) 5.892 5.543 ( 1.801 5.577 1.034) 5.951 5.975 ( -16.588 2.796 1.959) 16.936 6.454 ( 2.138 -6.365 -1.734) 6.935======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 0.955 0.505 -1.076) 1.525 2.524 ( -6.004 11.239 1.665) 12.850 3.030 ( 0.058 -2.908 -1.570) 3.305 3.981 ( -3.419 -2.190 -2.361) 4.696 4.099 ( 0.178 4.075 2.154) 4.613 4.480 ( 0.788 1.386 -4.995) 5.244 4.620 ( -4.586 4.416 1.011) 6.446 4.861 ( 2.450 -3.548 -3.147) 5.338 4.986 ( 5.276 0.198 2.186) 5.714 5.613 ( -2.661 3.534 -0.717) 4.481 5.782 ( -8.060 8.547 0.376) 11.754 6.510 ( 9.403 -6.117 6.224) 12.828======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -0.198 -0.072 -0.256) 0.332 2.482 ( -11.307 7.961 2.135) 13.992 2.968 ( -1.783 -4.180 -2.677) 5.275 3.875 ( -4.182 -3.057 -2.482) 5.744 4.143 ( -0.999 4.628 0.918) 4.823 4.473 ( -0.418 -0.121 -3.802) 3.827 4.591 ( -4.544 5.108 -0.123) 6.837 4.837 ( -2.084 -1.375 0.103) 2.499 5.048 ( 2.579 -3.050 1.765) 4.367 5.499 ( -8.444 0.986 -0.107) 8.502 5.908 ( 7.153 10.350 -1.359) 12.655 6.671 ( 12.696 -4.448 9.119) 16.252======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -2.647 -0.534 0.073) 2.701 2.309 ( -16.438 3.004 1.042) 16.743 2.893 ( -2.387 -2.638 -1.250) 3.771 3.783 ( -3.488 -1.528 -1.265) 4.013 4.150 ( -3.077 3.016 0.118) 4.310 4.444 ( -1.446 -0.457 -1.670) 2.256 4.560 ( -4.441 3.945 -0.267) 5.946 4.758 ( -6.391 -1.218 0.079) 6.506 5.032 ( -0.617 -2.864 0.165) 2.934 5.406 ( -3.124 -0.112 0.627) 3.188 6.135 ( 10.337 6.323 -1.314) 12.189 6.898 ( 14.503 -1.898 6.690) 16.084======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( -6.559 -0.000 0.000) 6.559 2.024 ( -19.101 -0.000 0.000) 19.101 2.814 ( -6.212 -0.000 0.000) 6.212 3.716 ( -3.603 -0.000 0.000) 3.603 4.091 ( -5.687 -0.000 0.000) 5.687 4.409 ( -2.554 -0.000 0.000) 2.554 4.523 ( -2.255 -0.000 0.000) 2.255 4.614 ( -8.627 -0.000 0.000) 8.627 5.002 ( -1.301 -0.000 0.000) 1.301 5.392 ( 1.108 0.000 -0.000) 1.108 6.349 ( 12.089 0.000 -0.000) 12.089 7.141 ( 13.964 0.000 -0.000) 13.964======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 0.000 11.256 0.148) 11.257 1.560 ( 0.000 17.409 2.096) 17.535 2.603 ( 0.000 18.304 -2.473) 18.470 3.571 ( 0.000 3.626 -0.718) 3.697 3.953 ( 0.000 1.075 -1.119) 1.551 4.108 ( -0.000 -2.197 3.106) 3.804 4.360 ( 0.000 9.679 -2.018) 9.887 4.515 ( -0.000 -0.992 0.205) 1.013 4.987 ( 0.000 1.844 -1.955) 2.688 5.482 ( 0.000 2.693 -0.947) 2.855 6.417 ( -0.000 -19.148 -1.849) 19.237 7.803 ( -0.000 -6.428 0.663) 6.462======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 0.672 7.923 -1.394) 8.073 1.780 ( 6.452 15.687 1.766) 17.054 2.730 ( -0.542 11.572 -3.674) 12.153 3.654 ( 4.856 4.533 -0.043) 6.643 3.918 ( -2.204 0.366 0.109) 2.237 4.199 ( 9.913 -2.972 1.417) 10.446 4.441 ( 0.556 3.808 -0.622) 3.898 4.538 ( 1.065 6.564 1.345) 6.785 4.984 ( -1.658 2.374 -3.124) 4.260 5.494 ( -1.359 2.425 0.005) 2.780 6.238 ( 1.244 -18.182 -2.739) 18.430 7.650 ( -11.088 -5.191 -1.792) 12.373======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( 1.242 4.428 -2.695) 5.330 2.070 ( 9.719 14.542 1.675) 17.571 2.800 ( 0.886 5.877 -2.272) 6.363 3.786 ( 4.256 4.556 2.530) 6.729 3.920 ( 3.153 -0.277 -1.977) 3.731 4.348 ( 10.020 -2.198 0.686) 10.281 4.447 ( 0.468 -0.996 -1.806) 2.115 4.666 ( 2.300 9.424 2.169) 9.941 4.957 ( -3.026 2.650 -4.011) 5.680 5.493 ( -1.603 2.737 1.858) 3.676 6.104 ( 3.166 -14.700 -3.360) 15.408 7.344 ( -19.070 -3.400 -3.909) 19.761======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 1.833 2.094 -2.980) 4.077 2.365 ( 8.071 14.037 1.035) 16.225 2.870 ( 3.575 1.966 0.293) 4.091 3.882 ( 2.260 2.563 5.661) 6.613 4.005 ( 6.388 1.935 -4.189) 7.880 4.411 ( 0.001 -1.365 -1.197) 1.816 4.508 ( 9.839 -3.717 -1.580) 10.635 4.777 ( 0.703 7.747 0.315) 7.786 4.908 ( -3.825 2.129 -4.431) 6.229 5.516 ( -0.274 3.588 2.204) 4.220 6.050 ( 5.458 -9.737 -0.641) 11.181 6.950 ( -22.892 -1.637 -4.911) 23.470======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.689 ( 2.018 1.024 -2.279) 3.211 2.589 ( 2.764 13.071 0.298) 13.363 2.950 ( 4.393 -0.780 1.568) 4.729 3.972 ( 3.233 2.442 5.530) 6.856 4.093 ( 2.254 1.993 -2.431) 3.868 4.399 ( 1.888 -1.335 -3.269) 4.004 4.614 ( 8.567 -4.728 -1.314) 9.873 4.822 ( -4.384 4.343 -4.790) 7.812 4.872 ( 0.801 3.410 -0.124) 3.505 5.561 ( 1.303 3.325 0.112) 3.573 6.087 ( 5.015 -3.785 4.459) 7.705 6.552 ( -20.273 -1.234 -4.620) 20.829======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 1.638 0.575 -1.221) 2.122 2.711 ( -2.262 11.252 0.922) 11.514 2.988 ( 1.510 -3.151 0.285) 3.506 4.022 ( -3.043 0.462 -0.073) 3.078 4.120 ( 1.833 1.731 2.548) 3.584 4.424 ( 3.140 -1.022 -4.164) 5.315 4.710 ( 7.478 -2.701 1.086) 8.025 4.761 ( -3.924 3.821 -5.535) 7.787 4.932 ( 2.482 1.230 1.167) 3.006 5.626 ( 2.861 3.050 -1.066) 4.315 6.069 ( -13.542 4.963 2.763) 14.685 6.335 ( 3.602 -6.053 0.862) 7.096======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( 0.810 0.210 -0.377) 0.918 2.730 ( -7.831 7.924 1.865) 11.296 2.945 ( -1.091 -4.387 -1.573) 4.787 3.924 ( -5.571 -1.478 -1.398) 5.931 4.184 ( 1.125 2.532 1.851) 3.332 4.438 ( 1.633 -1.500 -2.664) 3.466 4.714 ( -4.500 3.742 -0.519) 5.875 4.809 ( 4.439 -0.731 -0.956) 4.599 4.983 ( 3.178 -1.229 1.375) 3.675 5.649 ( -5.400 1.019 -0.392) 5.510 5.925 ( -3.753 4.991 -0.734) 6.287 6.450 ( 11.735 -3.424 3.867) 12.821======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( -0.502 -0.000 0.000) 0.502 2.586 ( -14.040 -0.000 0.000) 14.040 2.902 ( -1.004 -0.000 0.000) 1.004 3.833 ( -4.092 -0.000 0.000) 4.092 4.201 ( -1.059 -0.000 0.000) 1.059 4.441 ( 0.357 0.000 -0.000) 0.357 4.658 ( -4.630 -0.000 0.000) 4.630 4.827 ( -1.687 -0.000 0.000) 1.687 5.016 ( 1.084 0.000 -0.000) 1.084 5.508 ( -8.778 -0.000 0.000) 8.778 6.010 ( 7.807 0.000 -0.000) 7.807 6.657 ( 14.101 0.000 -0.000) 14.101======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 0.000 5.379 -2.697) 6.017 1.863 ( 0.000 12.840 0.982) 12.877 2.810 ( 0.000 6.516 -4.722) 8.047 3.655 ( 0.000 5.404 -0.134) 5.406 3.977 ( 0.000 1.622 0.040) 1.622 4.054 ( -0.000 -5.281 3.448) 6.307 4.455 ( 0.000 0.142 -1.260) 1.268 4.630 ( -0.000 12.427 2.480) 12.672 5.012 ( 0.000 2.765 -3.407) 4.388 5.529 ( 0.000 2.526 -0.485) 2.572 6.045 ( -0.000 -17.354 -2.716) 17.566 7.682 ( 0.000 -5.581 -2.230) 6.010======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 0.098 2.441 -3.514) 4.280 2.043 ( 7.685 10.604 0.727) 13.116 2.830 ( -0.265 2.379 -3.555) 4.286 3.752 ( 4.791 5.667 -0.040) 7.421 3.920 ( -3.113 -0.853 2.214) 3.914 4.143 ( 9.779 -3.274 0.847) 10.347 4.441 ( -0.486 -0.760 -1.749) 1.968 4.766 ( 0.112 12.440 2.767) 12.744 5.012 ( -1.816 2.888 -3.549) 4.923 5.542 ( -0.812 2.258 0.483) 2.447 5.902 ( 2.593 -14.097 -3.182) 14.682 7.537 ( -10.073 -4.664 -2.958) 11.488======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 1.128 0.769 -3.250) 3.525 2.309 ( 11.948 9.417 0.625) 15.225 2.842 ( 1.477 0.294 -1.156) 1.899 3.901 ( 2.404 -0.780 -0.017) 2.527 3.902 ( 4.511 5.644 2.808) 7.752 4.276 ( 10.393 -4.415 -1.068) 11.342 4.414 ( -0.958 -0.989 -2.194) 2.590 4.869 ( -1.194 9.195 1.415) 9.379 4.983 ( -3.469 2.792 -3.367) 5.583 5.555 ( -0.514 1.824 1.139) 2.211 5.853 ( 6.208 -9.014 -1.744) 11.083 7.257 ( -17.588 -2.905 -3.149) 18.103======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( 2.114 0.342 -2.170) 3.048 2.590 ( 10.344 8.727 -0.180) 13.534 2.879 ( 3.313 -1.121 1.098) 3.666 3.946 ( 3.844 0.193 3.839) 5.436 4.050 ( 4.879 4.881 -0.530) 6.922 4.370 ( 1.233 -2.597 -0.242) 2.885 4.396 ( 7.599 -4.098 -4.634) 9.799 4.915 ( -1.694 3.576 0.631) 4.007 4.931 ( -4.452 4.328 -3.064) 6.924 5.565 ( 0.444 0.647 -0.348) 0.859 5.925 ( 9.258 -3.754 1.772) 10.146 6.897 ( -21.750 -1.084 -2.546) 21.926======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 2.295 0.243 -0.911) 2.481 2.793 ( 4.578 7.903 -0.821) 9.170 2.919 ( 2.754 -3.514 1.628) 4.752 4.049 ( 4.941 1.500 3.925) 6.486 4.110 ( -1.368 0.949 -1.445) 2.204 4.361 ( 1.521 -0.511 -1.737) 2.365 4.504 ( 10.898 -3.360 -2.247) 11.624 4.862 ( -4.405 1.809 -1.524) 5.000 4.937 ( -0.807 2.013 0.280) 2.187 5.593 ( 2.556 0.669 -0.728) 2.740 6.074 ( 9.974 -0.813 2.738) 10.375 6.516 ( -22.215 -0.384 -1.551) 22.272======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 1.719 0.000 -0.000) 1.719 2.880 ( -3.257 -0.000 0.000) 3.257 2.904 ( 1.849 0.000 -0.000) 1.849 4.021 ( -6.609 -0.000 0.000) 6.609 4.156 ( 4.202 0.000 -0.000) 4.202 4.389 ( 2.415 0.000 -0.000) 2.415 4.672 ( 10.606 0.000 -0.000) 10.606 4.801 ( -4.093 -0.000 0.000) 4.093 4.945 ( 1.004 0.000 -0.000) 1.004 5.650 ( 3.422 0.000 -0.000) 3.422 6.159 ( -19.065 -0.000 0.000) 19.065 6.252 ( 10.815 0.000 -0.000) 10.815======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 0.000 0.199 -3.993) 3.998 2.058 ( 0.000 7.188 0.184) 7.190 2.825 ( 0.000 -0.882 -3.345) 3.459 3.768 ( 0.000 5.892 0.438) 5.908 3.980 ( -0.000 -4.101 2.824) 4.979 4.006 ( -0.000 1.037 0.465) 1.136 4.430 ( 0.000 -1.048 -1.843) 2.120 4.896 ( -0.000 11.632 2.971) 12.005 5.043 ( 0.000 2.839 -3.090) 4.196 5.567 ( 0.000 1.623 -0.218) 1.637 5.745 ( 0.000 -11.520 -2.648) 11.820 7.565 ( 0.000 -4.544 -2.652) 5.261======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 0.630 -0.661 -3.125) 3.256 2.194 ( 9.091 5.018 0.111) 10.384 2.808 ( 1.068 -1.637 -1.822) 2.672 3.848 ( 2.758 3.406 -0.593) 4.422 3.937 ( -0.437 1.290 3.925) 4.154 4.089 ( 7.076 -2.528 -0.887) 7.566 4.410 ( -0.455 -0.915 -1.606) 1.904 4.983 ( -1.715 6.949 1.558) 7.324 5.047 ( -1.950 3.380 -2.118) 4.440 5.575 ( -0.482 0.270 0.247) 0.605 5.681 ( 4.373 -6.497 -1.759) 8.026 7.441 ( -9.195 -3.121 -2.161) 9.947======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 1.873 -0.277 -1.487) 2.408 2.433 ( 14.000 3.259 0.039) 14.375 2.824 ( 2.605 -0.886 -0.263) 2.764 3.891 ( 2.593 -0.232 0.135) 2.607 4.035 ( 4.203 5.488 3.341) 7.678 4.174 ( 8.453 -4.708 -2.634) 10.028 4.386 ( -1.163 -0.502 -1.045) 1.642 4.985 ( -2.940 1.646 0.147) 3.372 5.028 ( -3.640 3.309 -1.029) 5.026 5.560 ( -0.221 -0.925 -0.289) 0.994 5.753 ( 8.339 -1.582 0.268) 8.492 7.199 ( -16.441 -1.217 -1.224) 16.531======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( 2.494 0.000 -0.000) 2.494 2.678 ( 12.387 0.000 -0.000) 12.387 2.865 ( 2.650 0.000 -0.000) 2.650 3.958 ( 5.563 0.000 -0.000) 5.563 4.125 ( 1.646 0.000 -0.000) 1.646 4.299 ( 10.585 0.000 -0.000) 10.585 4.358 ( -1.309 -0.000 0.000) 1.309 4.933 ( -3.828 -0.000 0.000) 3.828 4.985 ( -3.086 -0.000 0.000) 3.086 5.562 ( 1.135 0.000 -0.000) 1.135 5.903 ( 10.153 0.000 -0.000) 10.153 6.877 ( -21.144 -0.000 0.000) 21.144======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( 0.000 -0.884 -1.934) 2.127 2.146 ( 0.000 2.211 -0.031) 2.211 2.775 ( 0.000 -1.549 -1.099) 1.899 3.862 ( 0.000 2.952 0.329) 2.970 3.945 ( -0.000 -1.156 1.068) 1.574 4.018 ( -0.000 -0.010 0.192) 0.192 4.402 ( 0.000 -0.574 -0.899) 1.066 5.040 ( 0.000 1.825 -0.326) 1.854 5.102 ( 0.000 4.028 0.240) 4.035 5.582 ( 0.000 -4.000 -0.975) 4.117 5.586 ( 0.000 0.526 -0.063) 0.529 7.487 ( 0.000 -1.886 -1.168) 2.218======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 1.111 0.000 -0.000) 1.111 2.241 ( 9.686 0.000 -0.000) 9.686 2.780 ( 1.710 0.000 -0.000) 1.710 3.870 ( 0.039 0.000 -0.000) 0.039 4.002 ( 6.345 0.000 -0.000) 6.345 4.035 ( 2.068 0.000 -0.000) 2.068 4.394 ( -0.425 -0.000 0.000) 0.425 5.032 ( -1.727 -0.000 0.000) 1.727 5.099 ( -2.729 -0.000 0.000) 2.729 5.558 ( -0.329 -0.000 0.000) 0.329 5.632 ( 5.076 0.000 -0.000) 5.076 7.402 ( -8.815 -0.000 0.000) 8.815======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.204 ( -0.000 -0.000 19.210) 19.210 0.204 ( -0.000 -0.000 19.210) 19.210 0.352 ( -0.000 -0.000 33.342) 33.342 3.495 ( 0.000 -0.000 -0.015) 0.015 3.495 ( 0.000 0.000 -0.015) 0.015 3.970 ( 0.000 0.000 -1.801) 1.801 3.970 ( 0.000 0.000 -1.801) 1.801 4.986 ( 0.000 0.000 -3.904) 3.904 5.447 ( -0.000 -0.000 1.334) 1.334 5.447 ( -0.000 -0.000 1.334) 1.334 5.984 ( -0.000 -0.000 1.501) 1.501 9.288 ( -0.000 -0.000 0.394) 0.394======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( 14.807 8.549 8.706) 19.186 0.476 ( 13.978 8.070 11.305) 19.706 0.857 ( 26.623 15.371 15.540) 34.446 3.513 ( 1.106 0.638 0.727) 1.469 3.787 ( 9.412 5.434 -13.885) 17.633 3.958 ( -0.131 -0.076 -2.383) 2.387 4.059 ( 8.926 5.154 -2.799) 10.681 4.800 ( -12.126 -7.001 14.303) 20.016 5.006 ( -2.756 -1.591 4.547) 5.550 5.487 ( 1.545 0.892 3.252) 3.710 6.864 ( 24.549 14.173 -39.736) 48.810 8.409 ( -36.947 -21.331 41.706) 59.661======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 15.446 8.918 3.519) 18.179 0.840 ( 15.774 9.107 6.979) 19.505 1.495 ( 26.970 15.571 6.068) 31.728 3.549 ( 1.865 1.077 1.409) 2.574 3.904 ( 6.082 3.511 -6.003) 9.239 3.950 ( 0.211 0.122 -2.426) 2.438 4.291 ( 11.726 6.770 0.517) 13.550 4.659 ( -5.689 -3.284 6.897) 9.525 4.970 ( -1.912 -1.104 1.136) 2.483 5.527 ( 0.831 0.480 3.342) 3.477 7.042 ( 4.852 2.801 -22.557) 23.242 7.857 ( -25.917 -14.963 19.162) 35.535======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 13.920 8.036 0.113) 16.073 1.209 ( 15.666 9.045 4.123) 18.554 2.069 ( 23.657 13.658 0.307) 27.319 3.606 ( 2.767 1.597 1.991) 3.764 3.952 ( 0.601 0.347 -2.034) 2.149 4.029 ( 6.162 3.558 -0.442) 7.129 4.561 ( 10.591 6.115 3.149) 12.628 4.574 ( -2.810 -1.623 5.624) 6.493 4.924 ( -2.185 -1.262 -1.376) 2.874 5.539 ( -0.604 -0.349 1.813) 1.943 6.974 ( -6.467 -3.734 -7.375) 10.496 7.359 ( -21.038 -12.147 -3.367) 24.525======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 10.889 6.287 -2.387) 12.799 1.548 ( 13.812 7.974 1.910) 16.063 2.529 ( 18.221 10.520 -2.428) 21.180 3.685 ( 3.711 2.142 2.274) 4.851 3.962 ( 0.790 0.456 -1.290) 1.580 4.164 ( 5.331 3.078 4.596) 7.682 4.525 ( -1.396 -0.806 1.598) 2.270 4.776 ( 1.872 1.081 7.798) 8.092 4.911 ( 5.599 3.233 -2.960) 7.111 5.513 ( -1.941 -1.121 -0.232) 2.254 6.646 ( -22.857 -13.196 6.536) 27.190 6.996 ( -6.947 -4.011 -23.917) 25.227======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 6.828 3.942 -3.579) 8.659 1.822 ( 10.539 6.085 0.515) 12.180 2.852 ( 11.854 6.844 -2.328) 13.884 3.781 ( 4.109 2.372 1.816) 5.080 3.976 ( 0.717 0.414 -0.210) 0.855 4.296 ( 4.398 2.539 8.001) 9.476 4.512 ( -0.376 -0.217 -0.134) 0.454 4.755 ( -1.149 -0.663 -0.491) 1.415 5.099 ( 7.658 4.422 4.274) 9.822 5.459 ( -2.431 -1.404 -1.469) 3.168 6.125 ( -23.345 -13.478 -1.827) 27.018 6.816 ( -3.376 -1.949 -17.825) 18.246======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 3.196 1.845 -3.237) 4.909 2.012 ( 6.556 3.785 0.032) 7.570 3.043 ( 6.279 3.625 -1.926) 7.502 3.869 ( 3.305 1.908 0.387) 3.836 3.990 ( 0.321 0.185 1.039) 1.103 4.375 ( -0.730 -0.422 6.273) 6.329 4.515 ( 1.667 0.963 -1.479) 2.428 4.786 ( 4.555 2.630 0.014) 5.260 5.227 ( 1.968 1.136 2.851) 3.646 5.406 ( -1.721 -0.993 -1.067) 2.256 5.656 ( -16.575 -9.570 -5.583) 19.937 6.724 ( -0.608 -0.351 -8.283) 8.313======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 1.317 0.760 -2.011) 2.521 2.111 ( 2.302 1.329 0.129) 2.662 3.122 ( 1.869 1.079 -3.134) 3.805 3.923 ( 1.576 0.910 -1.098) 2.125 3.992 ( -0.633 -0.366 1.585) 1.746 4.332 ( -2.634 -1.521 -1.472) 3.379 4.552 ( 1.027 0.593 0.540) 1.303 4.939 ( 7.296 4.213 2.297) 8.733 5.148 ( -7.337 -4.236 -3.895) 9.324 5.384 ( -0.138 -0.080 0.699) 0.716 5.445 ( -1.984 -1.146 0.371) 2.321 6.735 ( 2.474 1.428 2.263) 3.644======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 0.458 0.264 -0.586) 0.789 2.114 ( -2.095 -1.210 0.447) 2.460 3.112 ( -1.433 -0.828 -4.019) 4.346 3.920 ( -1.801 -1.040 -1.588) 2.616 3.980 ( -0.389 -0.224 0.755) 0.879 4.270 ( -1.677 -0.968 -6.434) 6.719 4.558 ( -0.489 -0.282 0.193) 0.597 4.912 ( -6.971 -4.025 0.136) 8.050 5.156 ( 4.653 2.686 -2.011) 5.737 5.404 ( 1.348 0.778 2.513) 2.956 5.487 ( 5.880 3.395 3.418) 7.601 6.844 ( 5.097 2.943 11.645) 13.048======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -1.908 -1.102 0.582) 2.279 2.020 ( -6.693 -3.864 0.692) 7.759 3.039 ( -4.240 -2.448 -2.197) 5.366 3.840 ( -4.347 -2.510 -2.165) 5.467 3.980 ( 0.012 0.007 0.104) 0.105 4.209 ( -1.604 -0.926 -8.525) 8.724 4.538 ( -1.223 -0.706 -0.098) 1.415 4.780 ( -4.857 -2.804 0.034) 5.608 5.156 ( -2.876 -1.660 -2.815) 4.354 5.452 ( 1.820 1.051 3.002) 3.664 5.745 ( 15.081 8.707 2.777) 17.634 7.030 ( 6.727 3.884 18.062) 19.662======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( -6.679 -3.856 0.780) 7.752 1.822 ( -11.405 -6.585 0.481) 13.179 2.891 ( -9.785 -5.650 1.125) 11.355 3.730 ( -4.555 -2.630 -2.737) 5.929 3.979 ( -0.102 -0.059 0.009) 0.118 4.142 ( -1.869 -1.079 -6.311) 6.669 4.510 ( -1.048 -0.605 -0.495) 1.307 4.687 ( -3.249 -1.876 -5.176) 6.392 5.060 ( -4.561 -2.634 0.059) 5.267 5.495 ( 1.144 0.660 1.742) 2.186 6.122 ( 18.251 10.537 -1.099) 21.103 7.252 ( 6.982 4.031 20.535) 22.060======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( -11.682 -6.745 0.250) 13.492 1.525 ( -15.374 -8.876 -0.182) 17.754 2.585 ( -18.816 -10.864 2.635) 21.887 3.630 ( -3.505 -2.024 -2.690) 4.860 3.976 ( -0.103 -0.060 0.013) 0.120 4.093 ( -1.364 -0.787 -2.033) 2.572 4.486 ( -1.243 -0.718 -2.535) 2.914 4.588 ( -3.329 -1.922 -7.705) 8.611 4.981 ( -2.696 -1.557 2.417) 3.942 5.509 ( -0.070 -0.040 -0.559) 0.565 6.524 ( 18.757 10.829 -5.042) 22.237 7.469 ( 6.093 3.518 19.569) 20.795======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( -17.538 -10.125 -0.618) 20.260 1.157 ( -15.214 -8.784 -0.077) 17.568 2.088 ( -26.527 -15.315 2.462) 30.729 3.559 ( -2.225 -1.285 -2.233) 3.404 3.975 ( 0.010 0.006 0.018) 0.022 4.057 ( -2.013 -1.162 1.576) 2.809 4.379 ( -6.210 -3.585 -9.009) 11.515 4.545 ( 0.448 0.259 -0.537) 0.746 4.957 ( -0.260 -0.150 1.310) 1.344 5.491 ( -0.987 -0.570 -2.551) 2.794 6.901 ( 17.144 9.898 -7.801) 21.277 7.651 ( 4.558 2.631 17.132) 17.922======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( -17.778 -10.264 0.247) 20.530 0.798 ( -17.141 -9.897 0.644) 19.804 1.458 ( -30.918 -17.851 3.511) 35.873 3.515 ( -1.157 -0.668 -1.574) 2.065 3.976 ( 0.104 0.060 -0.216) 0.248 4.014 ( -2.401 -1.386 2.457) 3.704 4.194 ( -7.262 -4.193 -9.473) 12.651 4.567 ( 1.141 0.659 3.020) 3.295 4.970 ( 1.021 0.590 0.214) 1.199 5.457 ( -1.009 -0.582 -2.944) 3.166 7.198 ( 12.039 6.951 -15.021) 20.467 7.801 ( 4.029 2.326 21.008) 21.517======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.480 ( -0.000 14.160 11.227) 18.071 0.515 ( -0.000 15.119 12.715) 19.755 0.933 ( -0.000 29.370 17.467) 34.172 3.488 ( 0.000 0.036 -0.550) 0.551 3.776 ( 0.000 15.543 -12.380) 19.871 3.958 ( 0.000 0.130 -2.586) 2.590 3.991 ( 0.000 3.390 -2.052) 3.962 4.836 ( -0.000 -12.878 6.921) 14.620 5.031 ( -0.000 -7.182 9.956) 12.276 5.429 ( -0.000 -0.973 0.163) 0.987 6.756 ( 0.000 28.343 -28.910) 40.485 8.593 ( -0.000 -37.522 32.939) 49.929======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( 8.900 14.336 7.285) 18.380 0.778 ( 8.618 14.276 9.085) 18.990 1.384 ( 13.282 26.954 9.460) 31.502 3.519 ( 2.904 0.262 0.232) 2.925 3.840 ( 0.483 4.737 -5.380) 7.185 3.982 ( 0.155 5.688 -5.052) 7.609 4.136 ( 12.465 4.634 -1.537) 13.387 4.715 ( -3.820 -7.406 5.488) 9.978 4.993 ( -1.588 -2.393 3.517) 4.541 5.471 ( 4.445 -2.432 1.162) 5.198 6.914 ( 5.037 8.175 -19.950) 22.141 8.189 ( -21.493 -21.161 21.853) 37.246======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 10.033 12.112 3.025) 16.016 1.112 ( 11.727 13.711 6.080) 19.039 1.894 ( 16.970 21.400 2.284) 27.407 3.581 ( 3.113 1.469 1.313) 3.684 3.886 ( 3.672 -0.020 -1.540) 3.982 4.039 ( 0.986 8.058 -3.578) 8.872 4.413 ( 14.379 5.205 1.147) 15.335 4.615 ( -3.174 -4.628 3.664) 6.702 4.949 ( -2.426 -1.593 0.401) 2.930 5.507 ( 2.491 -3.277 1.108) 4.263 6.927 ( 0.783 -2.938 -12.829) 13.184 7.678 ( -26.627 -12.739 7.964) 30.573======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 9.497 9.082 -0.755) 13.162 1.452 ( 11.339 13.221 3.600) 17.786 2.349 ( 16.364 15.219 -1.693) 22.411 3.658 ( 3.290 2.546 1.997) 4.614 3.938 ( 2.569 0.728 -1.330) 2.983 4.148 ( 3.727 6.887 1.246) 7.929 4.540 ( -1.461 -2.444 1.051) 3.035 4.708 ( 12.265 3.279 7.178) 14.584 4.887 ( -2.390 -0.620 -3.442) 4.236 5.496 ( 0.269 -4.077 0.087) 4.086 6.802 ( -5.509 -10.366 -2.995) 12.115 7.141 ( -25.575 -5.619 -9.172) 27.745======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 7.378 5.849 -3.156) 9.930 1.752 ( 8.947 11.975 1.670) 15.042 2.706 ( 13.286 9.273 -2.369) 16.375 3.751 ( 3.596 3.150 2.078) 5.213 3.976 ( 1.011 2.037 -1.273) 2.606 4.290 ( 4.355 5.929 5.381) 9.115 4.512 ( -0.283 -1.470 0.937) 1.766 4.776 ( -2.876 -1.505 -0.607) 3.302 4.995 ( 10.746 2.923 2.285) 11.369 5.447 ( -0.895 -4.281 -0.563) 4.409 6.442 ( -24.824 -10.383 2.761) 27.050 6.788 ( -6.129 -2.447 -18.863) 19.984======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 4.526 3.007 -3.754) 6.605 1.981 ( 5.422 10.084 0.632) 11.467 2.947 ( 8.748 4.573 -1.980) 10.067 3.845 ( 3.110 3.365 1.221) 4.742 4.003 ( 0.112 2.287 -0.164) 2.295 4.420 ( 0.701 3.908 7.270) 8.284 4.494 ( 0.457 -0.414 -2.015) 2.107 4.748 ( 1.667 1.278 -1.526) 2.596 5.154 ( 6.446 -2.692 0.105) 6.986 5.401 ( -0.490 -1.571 0.904) 1.878 5.943 ( -25.054 -3.035 -4.018) 25.556 6.672 ( 0.578 -3.408 -8.844) 9.496======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 2.320 1.297 -3.021) 4.024 2.126 ( 1.391 7.866 0.441) 8.000 3.071 ( 4.044 1.233 -3.017) 5.194 3.919 ( 1.493 3.425 -0.253) 3.745 4.017 ( -1.041 1.345 0.841) 1.897 4.385 ( -4.641 0.129 -1.394) 4.847 4.543 ( 1.577 1.629 1.319) 2.623 4.858 ( 7.548 4.254 1.328) 8.766 5.136 ( -0.519 -8.541 -4.377) 9.611 5.421 ( 0.387 3.338 2.796) 4.372 5.583 ( -15.470 2.387 -2.680) 15.880 6.676 ( 4.621 -2.295 1.151) 5.286======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( 1.326 0.581 -1.819) 2.325 2.179 ( -2.934 5.547 0.730) 6.318 3.092 ( 0.449 -1.117 -4.666) 4.819 3.955 ( -1.332 3.414 -1.158) 3.843 3.993 ( -1.664 -1.028 0.204) 1.967 4.310 ( -4.229 2.401 -4.932) 6.926 4.563 ( -0.229 0.158 -0.034) 0.281 4.971 ( -3.944 -4.249 0.259) 5.803 5.066 ( 7.017 1.484 -1.376) 7.303 5.443 ( -5.160 2.277 1.017) 5.731 5.494 ( 2.111 6.420 2.731) 7.289 6.782 ( 7.740 -1.191 9.689) 12.458======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 0.081 -0.401 -0.650) 0.768 2.137 ( -7.559 3.018 1.132) 8.217 3.046 ( -1.523 -2.823 -4.225) 5.304 3.893 ( -4.935 -1.711 -1.523) 5.440 3.989 ( -0.359 1.959 -1.262) 2.357 4.256 ( -4.335 4.930 -6.457) 9.208 4.547 ( -0.952 -0.683 -0.853) 1.449 4.844 ( -5.687 -3.517 1.394) 6.830 5.152 ( 1.133 -1.076 -2.110) 2.626 5.424 ( 0.861 -0.736 3.257) 3.448 5.674 ( 8.033 12.220 2.137) 14.779 6.967 ( 9.873 -0.600 15.463) 18.356======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( -3.595 -2.468 -0.114) 4.362 1.991 ( -12.410 -0.036 1.174) 12.466 2.957 ( -4.333 -4.702 -1.381) 6.542 3.782 ( -5.079 -2.268 -2.021) 5.918 3.990 ( -1.281 1.912 -1.760) 2.897 4.212 ( -4.957 6.375 -5.063) 9.531 4.518 ( -1.100 -1.116 -0.756) 1.740 4.723 ( -5.434 -2.811 -1.448) 6.287 5.097 ( -3.169 -2.844 -1.358) 4.470 5.456 ( 2.718 -2.208 2.959) 4.585 5.982 ( 12.866 13.705 -0.414) 18.803 7.191 ( 10.549 -0.632 17.552) 20.488======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( -9.049 -4.509 -0.288) 10.115 1.736 ( -16.760 -3.029 0.749) 17.048 2.771 ( -12.258 -7.145 1.094) 14.230 3.676 ( -4.668 -1.288 -1.805) 5.168 3.968 ( -1.675 0.107 -2.013) 2.621 4.186 ( -4.724 7.444 -0.797) 8.852 4.489 ( -0.894 -1.066 -1.137) 1.796 4.599 ( -4.373 -2.896 -6.270) 8.174 5.017 ( -2.900 -2.306 0.997) 3.837 5.480 ( 1.926 -2.578 0.925) 3.349 6.337 ( 15.339 12.422 -3.392) 20.028 7.412 ( 9.863 -1.262 16.151) 18.966======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( -14.010 -5.157 -0.294) 14.932 1.397 ( -19.590 -4.497 0.490) 20.105 2.406 ( -23.113 -8.498 1.768) 24.689 3.593 ( -3.686 -0.313 -1.368) 3.944 3.932 ( -0.467 -2.105 -1.323) 2.530 4.185 ( -5.072 7.714 2.398) 9.538 4.411 ( -5.260 -3.262 -6.871) 9.248 4.530 ( 0.616 -0.667 -1.569) 1.812 4.969 ( -1.336 -1.047 1.057) 2.000 5.478 ( 0.504 -1.788 -1.016) 2.118 6.693 ( 16.323 9.941 -5.290) 19.830 7.598 ( 8.531 -2.607 12.775) 15.582======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -20.002 -3.340 1.618) 20.344 1.029 ( -18.037 -3.944 0.504) 18.470 1.881 ( -31.169 -7.221 2.596) 32.100 3.540 ( -2.464 0.531 -0.669) 2.608 3.908 ( 0.778 -2.685 -1.051) 2.986 4.166 ( -6.081 4.678 1.850) 7.892 4.250 ( -7.505 -1.238 -6.554) 10.041 4.554 ( 2.085 0.184 2.060) 2.936 4.959 ( 0.482 -0.246 0.289) 0.614 5.462 ( -0.587 0.129 -1.428) 1.549 7.011 ( 13.960 7.111 -8.275) 17.718 7.739 ( 8.461 -5.078 11.840) 15.413======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -0.000 17.219 6.901) 18.550 0.889 ( -0.000 15.451 9.010) 17.886 1.598 ( -0.000 30.108 7.846) 31.113 3.492 ( 0.000 0.883 -0.515) 1.022 3.940 ( 0.000 0.173 -3.007) 3.012 3.957 ( 0.000 11.195 -6.240) 12.817 4.060 ( 0.000 4.880 -1.609) 5.139 4.684 ( -0.000 -7.614 3.010) 8.187 4.994 ( -0.000 -2.625 3.525) 4.395 5.419 ( 0.000 0.196 -0.414) 0.458 6.885 ( 0.000 2.704 -11.708) 12.017 8.225 ( -0.000 -21.185 15.245) 26.101======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 4.232 15.308 5.087) 16.677 1.115 ( 7.159 15.398 6.545) 18.199 1.947 ( 6.052 26.561 2.602) 27.366 3.537 ( 3.731 1.540 0.227) 4.042 3.875 ( -2.187 1.813 -1.553) 3.237 4.093 ( 0.569 8.741 -4.817) 9.996 4.214 ( 13.854 3.941 0.168) 14.404 4.612 ( -1.496 -5.683 1.786) 6.142 4.970 ( -1.487 -1.635 1.120) 2.478 5.443 ( 2.116 -0.524 -0.186) 2.188 6.842 ( 0.226 -6.342 -6.891) 9.368 7.946 ( -16.241 -14.140 6.548) 22.508======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( 5.171 11.223 1.668) 12.469 1.435 ( 9.779 16.000 4.637) 19.317 2.298 ( 8.921 19.712 -1.651) 21.699 3.631 ( 4.243 2.849 1.465) 5.317 3.893 ( 2.575 1.366 -1.047) 3.097 4.176 ( 1.661 7.922 -1.519) 8.235 4.490 ( 12.003 1.781 -0.401) 12.141 4.559 ( 2.324 -2.938 4.079) 5.539 4.919 ( -2.985 -0.798 -1.893) 3.624 5.456 ( 0.562 -1.771 0.206) 1.869 6.722 ( -1.126 -12.560 -4.170) 13.282 7.506 ( -24.707 -6.886 -2.599) 25.780======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 5.233 7.587 -1.670) 9.366 1.754 ( 8.400 15.684 3.056) 18.052 2.601 ( 10.058 12.270 -2.429) 16.051 3.734 ( 3.542 3.695 2.431) 5.667 3.955 ( 3.170 1.884 -2.301) 4.346 4.298 ( 3.956 7.498 2.067) 8.726 4.503 ( -0.229 -1.880 0.725) 2.028 4.763 ( 9.118 -2.081 4.779) 10.503 4.863 ( 0.765 1.370 -5.825) 6.033 5.434 ( -1.141 -1.701 1.188) 2.368 6.548 ( -3.286 -14.462 -0.405) 14.836 7.012 ( -26.103 -0.911 -11.168) 28.406======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 4.222 4.343 -3.307) 6.901 2.021 ( 5.095 14.660 1.713) 15.614 2.843 ( 8.954 6.401 -1.376) 11.092 3.835 ( 3.184 3.896 2.598) 5.663 4.010 ( 1.874 2.594 -2.199) 3.883 4.444 ( 4.136 4.687 1.955) 6.550 4.492 ( -0.570 0.785 1.812) 2.056 4.754 ( -1.830 0.500 -1.639) 2.508 4.976 ( 9.098 -4.714 -3.992) 10.997 5.417 ( -0.749 1.162 3.035) 3.335 6.295 ( -17.017 -7.025 1.784) 18.496 6.637 ( -9.320 -1.866 -12.347) 15.582======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 2.800 2.193 -3.282) 4.839 2.210 ( 1.174 12.925 1.176) 13.032 3.000 ( 5.393 2.353 -1.500) 6.072 3.926 ( 2.240 3.958 1.415) 4.763 4.047 ( -0.047 2.345 -0.533) 2.405 4.443 ( -2.021 -0.567 -3.639) 4.201 4.559 ( -0.024 4.346 3.468) 5.560 4.794 ( 4.804 3.953 0.131) 6.222 4.999 ( 4.444 -8.533 -6.151) 11.419 5.455 ( 0.692 3.945 2.979) 4.991 5.924 ( -21.947 2.376 -2.037) 22.169 6.560 ( 4.409 -4.964 -0.733) 6.679======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 1.729 1.192 -2.443) 3.221 2.314 ( -2.968 10.890 1.445) 11.379 3.055 ( 1.290 -0.509 -3.134) 3.427 3.986 ( 0.560 2.438 -0.917) 2.664 4.038 ( -2.985 1.438 0.496) 3.350 4.395 ( -3.260 3.618 -4.973) 6.960 4.577 ( -1.287 1.234 0.289) 1.806 4.941 ( 3.879 -1.992 0.661) 4.411 4.960 ( 5.152 -1.081 -2.948) 6.034 5.525 ( 1.098 4.939 1.256) 5.213 5.651 ( -14.095 5.540 0.268) 15.146 6.642 ( 9.034 -4.691 7.398) 12.584======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 0.875 0.475 -1.485) 1.788 2.327 ( -7.584 8.532 2.046) 11.597 3.024 ( -1.133 -2.601 -4.231) 5.094 3.934 ( -3.789 -3.710 -1.907) 5.635 4.040 ( -1.732 5.639 -0.866) 5.963 4.371 ( -3.865 6.828 -4.926) 9.264 4.555 ( -1.415 -0.222 -1.349) 1.967 4.886 ( -2.337 -3.613 0.591) 4.343 5.087 ( 4.867 -0.262 0.089) 4.875 5.480 ( -6.366 1.185 1.476) 6.641 5.689 ( 4.546 11.129 1.114) 12.073 6.807 ( 11.821 -4.606 12.041) 17.491======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -1.274 -0.797 -0.851) 1.727 2.232 ( -12.787 5.048 2.094) 13.906 2.954 ( -1.882 -3.828 -3.046) 5.242 3.825 ( -4.105 -3.268 -1.536) 5.467 4.054 ( -2.578 5.572 -2.185) 6.517 4.356 ( -4.715 7.987 -3.877) 10.053 4.523 ( -1.361 -0.679 -1.228) 1.955 4.796 ( -5.788 -2.558 1.296) 6.459 5.095 ( -0.703 -3.207 -1.810) 3.749 5.428 ( -1.137 -1.211 3.259) 3.658 5.927 ( 9.497 12.820 -1.048) 15.989 7.017 ( 13.366 -4.925 13.106) 19.356======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( -5.613 -2.033 -0.697) 6.011 2.016 ( -17.302 1.032 1.413) 17.391 2.857 ( -5.225 -4.182 -0.926) 6.757 3.732 ( -3.982 -1.601 -0.448) 4.315 4.037 ( -4.363 4.193 -2.793) 6.664 4.344 ( -4.610 7.670 -0.724) 8.978 4.493 ( -1.166 -0.079 -0.713) 1.368 4.653 ( -7.648 -3.096 -2.103) 8.514 5.033 ( -1.843 -2.816 -0.815) 3.463 5.425 ( 1.448 -2.628 2.220) 3.733 6.217 ( 12.051 11.182 -2.979) 16.708 7.232 ( 13.288 -5.558 10.521) 17.836======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( -10.696 -1.897 -0.505) 10.875 1.706 ( -20.038 -1.049 1.029) 20.092 2.663 ( -14.153 -3.641 -0.292) 14.616 3.657 ( -4.113 -0.186 0.475) 4.144 3.974 ( -5.065 1.715 -1.836) 5.654 4.338 ( -4.103 4.234 0.853) 5.957 4.469 ( -5.191 2.138 -0.437) 5.631 4.512 ( -1.600 -2.090 -2.100) 3.368 4.983 ( -1.518 -1.481 -0.516) 2.183 5.436 ( 1.948 -1.833 0.416) 2.707 6.512 ( 14.121 7.656 -3.492) 16.438 7.412 ( 11.914 -6.751 5.272) 14.674======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( -14.805 0.056 0.127) 14.806 1.362 ( -20.801 0.033 1.793) 20.878 2.315 ( -24.442 -1.108 -0.228) 24.468 3.598 ( -3.529 0.883 1.088) 3.797 3.913 ( -2.734 0.933 -0.662) 2.964 4.245 ( -5.745 -3.988 -4.284) 8.202 4.416 ( -6.537 7.401 5.250) 11.184 4.524 ( 1.744 0.516 0.258) 1.837 4.952 ( -0.387 -0.890 -0.954) 1.361 5.458 ( 1.370 0.639 -0.135) 1.517 6.804 ( 15.405 4.083 -2.745) 16.171 7.529 ( 10.421 -9.156 -0.080) 13.872======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( -0.000 12.975 5.518) 14.100 1.225 ( -0.000 18.113 4.281) 18.612 2.167 ( 0.000 25.822 0.386) 25.825 3.517 ( 0.000 1.999 -0.226) 2.012 3.929 ( 0.000 0.806 -2.410) 2.541 4.112 ( -0.000 4.106 2.986) 5.077 4.158 ( 0.000 9.289 -4.179) 10.186 4.576 ( -0.000 -4.825 0.721) 4.879 4.972 ( -0.000 -1.007 0.136) 1.016 5.434 ( 0.000 1.715 -0.585) 1.812 6.736 ( 0.000 -12.546 -2.637) 12.820 7.966 ( -0.000 -12.210 1.641) 12.319======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( 1.571 10.776 2.616) 11.200 1.468 ( 6.623 17.225 3.555) 18.794 2.405 ( 1.813 20.654 -2.627) 20.899 3.582 ( 4.691 2.984 0.273) 5.566 3.899 ( -1.859 1.491 -0.406) 2.418 4.211 ( 3.334 3.858 -0.729) 5.151 4.306 ( 9.413 6.454 1.418) 11.501 4.536 ( -0.374 -2.998 0.985) 3.177 4.949 ( -1.794 -0.065 -1.999) 2.687 5.452 ( 0.013 1.534 -0.212) 1.549 6.582 ( -0.318 -16.979 -1.667) 17.064 7.749 ( -13.511 -7.584 -3.530) 15.891======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 2.294 7.634 -0.627) 7.996 1.776 ( 9.032 16.467 2.961) 19.013 2.603 ( 3.804 13.728 -3.076) 14.574 3.708 ( 5.345 4.102 1.197) 6.843 3.911 ( 1.919 0.930 -0.637) 2.226 4.313 ( 3.696 6.093 0.464) 7.141 4.473 ( 3.154 -1.808 -0.843) 3.732 4.576 ( 8.694 1.185 4.009) 9.647 4.900 ( -3.289 1.211 -4.302) 5.548 5.457 ( -1.089 1.289 1.273) 2.113 6.407 ( 0.326 -17.302 -1.886) 17.408 7.378 ( -22.112 -2.985 -7.660) 23.591======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 2.665 4.701 -2.676) 6.030 2.079 ( 7.217 15.990 2.112) 17.670 2.779 ( 6.035 7.624 -1.232) 9.801 3.830 ( 3.564 4.323 3.020) 6.365 3.967 ( 4.148 1.134 -2.319) 4.886 4.422 ( 1.847 1.464 0.467) 2.403 4.503 ( 3.783 3.047 0.585) 4.892 4.725 ( 6.683 -2.704 1.527) 7.370 4.848 ( -2.022 2.022 -6.509) 7.109 5.462 ( -1.028 2.496 2.958) 4.005 6.271 ( 1.969 -13.590 0.031) 13.732 6.936 ( -25.016 0.324 -9.805) 26.871======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 2.553 2.689 -3.066) 4.811 2.320 ( 3.065 15.013 1.410) 15.388 2.931 ( 5.812 3.254 0.041) 6.661 3.931 ( 2.568 3.826 3.477) 5.773 4.043 ( 3.274 2.332 -1.673) 4.354 4.419 ( 0.583 -2.059 -2.703) 3.448 4.624 ( 2.163 5.483 2.749) 6.504 4.777 ( 2.760 0.687 0.527) 2.893 4.821 ( 2.105 -3.170 -8.736) 9.529 5.494 ( 0.138 3.642 2.190) 4.252 6.194 ( -3.774 -5.460 3.729) 7.613 6.545 ( -14.981 -0.591 -7.718) 16.863======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 2.018 1.686 -2.459) 3.600 2.476 ( -1.221 13.387 1.629) 13.541 3.017 ( 2.441 0.101 -0.773) 2.562 3.999 ( 0.210 2.332 0.394) 2.374 4.090 ( -0.114 2.197 1.640) 2.744 4.411 ( 1.350 0.369 -4.986) 5.178 4.654 ( -4.357 4.539 -0.571) 6.317 4.804 ( 6.389 -6.809 -4.355) 10.303 4.882 ( 5.062 4.100 0.285) 6.521 5.549 ( 1.511 4.226 0.328) 4.500 5.987 ( -18.509 4.515 0.408) 19.056 6.464 ( 7.121 -6.382 3.579) 10.211======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 1.268 1.124 -1.653) 2.367 2.546 ( -5.680 11.383 2.531) 12.971 3.008 ( -1.119 -2.445 -2.507) 3.676 3.958 ( -3.959 -2.295 -1.878) 4.946 4.119 ( -0.996 4.588 1.619) 4.967 4.428 ( 0.792 2.128 -4.897) 5.398 4.610 ( -4.116 3.998 -3.052) 6.500 4.843 ( 3.735 -2.981 -0.107) 4.780 5.001 ( 5.485 0.530 0.790) 5.567 5.603 ( -2.320 3.292 -0.986) 4.146 5.792 ( -8.361 7.669 1.541) 11.450 6.587 ( 11.840 -7.050 8.139) 16.004======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 0.009 0.405 -1.102) 1.174 2.508 ( -11.581 7.607 2.779) 14.132 2.939 ( -1.803 -3.338 -2.875) 4.760 3.856 ( -4.048 -2.540 -1.034) 4.889 4.144 ( -2.019 5.177 -0.771) 5.610 4.436 ( -0.223 1.534 -3.231) 3.584 4.579 ( -3.953 5.079 -2.277) 6.827 4.845 ( -1.453 -1.646 1.350) 2.577 5.052 ( 1.665 -2.747 -0.990) 3.362 5.508 ( -7.498 0.409 1.743) 7.708 5.897 ( 6.520 9.652 -0.795) 11.674 6.763 ( 14.089 -7.471 8.137) 17.903======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( -2.580 -0.230 -0.934) 2.753 2.322 ( -16.754 1.892 1.422) 16.920 2.881 ( -1.980 -1.406 -0.988) 2.622 3.779 ( -3.358 -0.812 0.542) 3.497 4.138 ( -3.505 3.809 -2.489) 5.743 4.430 ( -1.068 1.130 -0.886) 1.790 4.555 ( -3.888 4.424 -0.855) 5.951 4.761 ( -7.238 -1.623 0.440) 7.430 5.021 ( -0.556 -2.258 -2.013) 3.076 5.423 ( -3.016 -1.401 2.448) 4.129 6.116 ( 9.947 7.366 -2.198) 12.571 6.956 ( 14.962 -7.596 4.367) 17.339======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( -6.488 0.174 -0.927) 6.557 2.028 ( -18.994 -0.814 0.738) 19.026 2.811 ( -6.505 0.386 -0.548) 6.539 3.726 ( -3.636 0.527 1.764) 4.076 4.079 ( -5.360 1.331 -2.279) 5.975 4.408 ( -3.169 0.130 0.001) 3.172 4.518 ( -2.811 -1.037 -0.877) 3.123 4.630 ( -7.126 3.584 2.862) 8.474 4.991 ( -1.254 0.046 -2.004) 2.365 5.397 ( 0.767 -1.285 0.865) 1.728 6.338 ( 11.977 2.569 -1.897) 12.395 7.129 ( 13.888 -7.643 -2.385) 16.031======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -10.557 1.961 -0.909) 10.776 1.706 ( -19.401 0.282 1.191) 19.440 2.646 ( -15.013 2.714 -1.711) 15.352 3.677 ( -4.021 1.217 2.281) 4.781 3.991 ( -4.913 0.560 -0.486) 4.968 4.293 ( -6.536 -4.084 -1.696) 7.891 4.489 ( 0.471 0.042 0.651) 0.804 4.622 ( -4.120 6.695 7.430) 10.817 4.957 ( -2.080 0.432 -2.971) 3.653 5.428 ( 2.890 0.958 -0.285) 3.058 6.557 ( 15.034 -2.508 0.492) 15.250 7.241 ( 11.346 -8.344 -10.261) 17.425======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 0.000 8.878 1.188) 8.957 1.583 ( 0.000 16.527 2.262) 16.681 2.567 ( 0.000 17.069 -4.389) 17.624 3.569 ( 0.000 3.559 0.237) 3.567 3.942 ( 0.000 1.782 -0.996) 2.041 4.148 ( -0.000 -2.111 4.574) 5.038 4.354 ( 0.000 10.813 0.708) 10.836 4.520 ( -0.000 -0.988 0.728) 1.227 4.960 ( 0.000 0.950 -3.082) 3.225 5.473 ( 0.000 2.709 -0.772) 2.817 6.401 ( -0.000 -19.777 -1.283) 19.818 7.775 ( 0.000 -6.536 -5.797) 8.737======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( 0.440 6.157 -1.172) 6.283 1.798 ( 6.748 14.951 1.647) 16.485 2.687 ( 0.174 11.504 -4.272) 12.272 3.654 ( 5.082 4.429 0.225) 6.744 3.927 ( -2.142 1.038 1.346) 2.735 4.220 ( 8.280 -2.863 2.734) 9.178 4.438 ( 0.323 2.304 -0.133) 2.330 4.561 ( 1.771 7.622 3.201) 8.454 4.945 ( -1.928 2.108 -4.342) 5.198 5.493 ( -0.496 2.646 -0.127) 2.695 6.212 ( 0.888 -19.036 -2.317) 19.197 7.599 ( -11.635 -4.226 -7.746) 14.602======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 1.127 3.678 -2.724) 4.714 2.085 ( 9.919 13.920 1.266) 17.139 2.778 ( 2.102 6.529 -1.877) 7.111 3.800 ( 6.376 4.981 -0.036) 8.091 3.923 ( 0.582 -0.096 2.679) 2.743 4.356 ( 10.160 -2.798 0.930) 10.580 4.430 ( -0.438 -1.434 -1.245) 1.949 4.691 ( 1.611 8.433 2.614) 8.974 4.910 ( -3.343 3.156 -4.900) 6.719 5.511 ( -0.659 2.778 1.443) 3.199 6.075 ( 3.829 -14.950 -2.163) 15.583 7.278 ( -19.660 -1.593 -8.555) 21.500======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 1.966 2.221 -2.852) 4.115 2.374 ( 8.011 13.364 0.559) 15.592 2.875 ( 4.435 2.701 0.685) 5.237 3.940 ( 3.168 4.789 3.783) 6.876 3.973 ( 5.383 0.468 -0.411) 5.419 4.395 ( -0.970 -1.782 -1.700) 2.646 4.494 ( 10.435 -5.164 -1.032) 11.688 4.779 ( -0.453 7.311 -0.004) 7.325 4.862 ( -3.995 3.293 -4.340) 6.756 5.532 ( -0.393 2.550 1.015) 2.773 6.054 ( 7.725 -9.205 1.475) 12.107 6.884 ( -23.159 0.638 -7.679) 24.408======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 2.253 1.609 -2.109) 3.480 2.593 ( 3.274 12.358 0.343) 12.789 2.965 ( 3.877 -0.234 1.283) 4.091 4.026 ( 1.095 3.204 4.339) 5.504 4.076 ( 4.358 1.635 -0.358) 4.668 4.365 ( 0.678 -1.091 -2.975) 3.240 4.591 ( 9.275 -6.563 -3.063) 11.767 4.779 ( -5.241 5.216 -3.146) 8.036 4.871 ( 1.394 4.630 -0.085) 4.836 5.559 ( 1.041 2.383 -0.392) 2.630 6.138 ( 6.905 -3.909 5.122) 9.445 6.501 ( -19.717 0.515 -5.042) 20.358======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 1.805 1.258 -1.284) 2.548 2.723 ( -1.268 10.787 1.330) 10.943 2.988 ( 0.200 -2.971 -0.235) 2.987 4.019 ( -4.955 0.321 -0.061) 4.966 4.149 ( 2.460 1.417 2.543) 3.811 4.384 ( 2.682 0.137 -3.357) 4.299 4.663 ( 4.802 0.027 -7.334) 8.767 4.762 ( -0.175 2.534 2.899) 3.855 4.939 ( 2.830 1.306 0.161) 3.121 5.615 ( 2.639 2.976 -0.996) 4.100 6.089 ( -16.501 5.132 1.274) 17.328 6.356 ( 8.660 -7.491 3.011) 11.840======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 0.843 0.797 -0.818) 1.419 2.752 ( -7.595 6.774 2.177) 10.407 2.928 ( -1.540 -3.519 -1.617) 4.168 3.919 ( -5.713 -0.598 0.364) 5.756 4.193 ( 0.484 1.442 -0.278) 1.546 4.416 ( 1.702 0.766 -1.388) 2.326 4.682 ( -2.508 5.168 -4.856) 7.522 4.823 ( 3.088 -0.619 2.811) 4.221 4.985 ( 2.981 -1.713 -0.981) 3.575 5.643 ( -4.527 1.555 -0.863) 4.864 5.930 ( -4.572 4.641 1.668) 6.725 6.487 ( 12.643 -7.011 3.064) 14.777======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -0.593 0.428 -0.787) 1.074 2.586 ( -13.911 -2.157 -0.035) 14.077 2.906 ( -1.046 2.077 0.798) 2.458 3.843 ( -4.109 0.947 1.893) 4.622 4.189 ( -1.156 -0.150 -2.241) 2.526 4.444 ( 0.220 2.038 0.387) 2.086 4.650 ( -3.949 1.449 -1.355) 4.419 4.833 ( -2.336 -0.672 1.069) 2.655 4.998 ( 1.138 -0.154 -3.289) 3.484 5.518 ( -8.280 -0.621 1.687) 8.473 6.012 ( 7.126 1.470 0.531) 7.296 6.650 ( 13.946 -5.711 -1.340) 15.130======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( -2.786 0.776 -1.104) 3.096 2.301 ( -15.990 -3.972 -0.415) 16.481 2.907 ( -3.131 3.542 1.277) 4.897 3.804 ( -3.638 2.014 2.846) 5.039 4.137 ( -2.842 -1.885 -2.264) 4.094 4.460 ( -1.515 2.217 1.192) 2.938 4.563 ( -4.863 -4.063 0.465) 6.354 4.759 ( -5.196 0.984 0.325) 5.299 5.016 ( 0.053 3.805 -2.857) 4.758 5.411 ( -3.831 -1.211 1.529) 4.298 6.144 ( 10.040 -4.734 0.580) 11.115 6.819 ( 13.571 -4.023 -8.242) 16.380======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( -5.785 2.120 -1.683) 6.387 2.000 ( -16.372 -1.924 0.103) 16.485 2.862 ( -7.703 4.757 -0.395) 9.062 3.770 ( -4.221 2.059 2.912) 5.526 4.053 ( -3.668 -2.200 -1.110) 4.419 4.379 ( -7.714 -4.009 2.722) 9.110 4.494 ( -0.561 0.810 -0.483) 1.097 4.724 ( -1.503 1.650 3.685) 4.308 5.029 ( -3.482 5.098 -1.224) 6.294 5.391 ( 1.767 0.550 -0.609) 1.949 6.262 ( 13.181 -10.799 1.479) 17.104 6.949 ( 10.999 -3.353 -15.566) 19.353======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( 0.000 3.922 -2.656) 4.736 1.872 ( 0.000 12.312 0.667) 12.330 2.761 ( 0.000 6.986 -4.430) 8.273 3.659 ( 0.000 5.386 0.926) 5.465 3.977 ( 0.000 2.028 0.101) 2.030 4.105 ( -0.000 -6.054 6.323) 8.754 4.443 ( 0.000 -0.561 -0.856) 1.023 4.664 ( -0.000 12.685 4.004) 13.302 4.970 ( 0.000 2.972 -4.623) 5.496 5.520 ( 0.000 2.746 -1.120) 2.966 6.014 ( -0.000 -17.868 -3.080) 18.131 7.626 ( 0.000 -4.024 -8.379) 9.296======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.583 ( 0.286 1.908 -3.290) 3.814 2.048 ( 7.876 10.237 0.220) 12.918 2.798 ( 0.601 3.103 -2.423) 3.983 3.753 ( 4.226 5.470 0.391) 6.924 3.954 ( -2.382 -0.072 3.835) 4.515 4.159 ( 8.438 -4.871 2.515) 10.062 4.427 ( -0.515 -1.178 -0.959) 1.604 4.797 ( -0.474 11.828 3.150) 12.249 4.970 ( -1.861 3.618 -4.423) 6.010 5.542 ( 0.084 2.510 -0.447) 2.551 5.868 ( 2.687 -13.938 -3.327) 14.579 7.477 ( -10.169 -2.563 -8.473) 13.482======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 1.391 1.112 -2.596) 3.148 2.311 ( 11.932 9.121 -0.328) 15.022 2.837 ( 2.596 0.683 0.285) 2.699 3.880 ( 5.404 2.881 -1.270) 6.254 3.965 ( 1.178 2.071 6.500) 6.923 4.265 ( 9.519 -5.523 -1.039) 11.055 4.399 ( -1.093 -1.195 -0.461) 1.684 4.882 ( -1.926 8.840 0.890) 9.091 4.946 ( -3.598 3.630 -3.714) 6.318 5.560 ( -0.450 1.257 -0.149) 1.344 5.838 ( 7.697 -8.048 -1.080) 11.189 7.201 ( -17.497 -0.463 -7.455) 19.024======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 2.300 1.108 -1.376) 2.900 2.582 ( 10.154 8.414 -1.255) 13.246 2.897 ( 3.987 -1.188 2.210) 4.711 3.974 ( 5.867 -0.811 1.179) 6.039 4.065 ( 2.496 5.235 3.461) 6.754 4.348 ( 4.312 -2.662 -3.944) 6.421 4.377 ( 3.765 -3.853 1.269) 5.535 4.897 ( -4.757 3.538 -3.080) 6.681 4.921 ( -1.581 5.606 0.010) 5.825 5.559 ( 0.310 0.431 -0.607) 0.807 5.942 ( 10.708 -4.090 1.560) 11.568 6.856 ( -21.404 1.276 -5.257) 22.077======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 2.315 1.054 -0.404) 2.576 2.782 ( 5.287 7.451 -1.183) 9.213 2.937 ( 2.092 -3.805 1.817) 4.707 4.072 ( 6.333 -1.632 -0.221) 6.544 4.109 ( -3.154 1.858 1.896) 4.123 4.351 ( 1.038 0.797 -0.046) 1.310 4.485 ( 10.494 -1.448 -1.178) 10.659 4.848 ( -3.862 3.118 -1.244) 5.117 4.938 ( -0.746 1.922 -0.107) 2.065 5.588 ( 2.458 1.152 -0.101) 2.717 6.096 ( 11.010 -3.232 1.421) 11.562 6.495 ( -21.893 1.573 -2.361) 22.076======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 1.568 0.688 0.000) 1.712 2.881 ( -3.522 -2.345 0.290) 4.241 2.902 ( 2.186 1.541 -0.305) 2.692 4.027 ( -6.100 0.060 1.064) 6.192 4.144 ( 3.837 -1.770 -2.002) 4.676 4.402 ( 2.285 2.280 2.016) 3.806 4.655 ( 8.254 2.560 -2.668) 9.044 4.819 ( -2.043 0.526 2.872) 3.564 4.937 ( 0.637 -0.591 -1.332) 1.590 5.651 ( 3.041 0.921 0.109) 3.180 6.158 ( -16.234 -2.452 -0.077) 16.418 6.252 ( 8.827 -0.243 0.031) 8.830======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 0.531 0.340 -0.107) 0.640 2.714 ( -8.123 -8.552 -1.242) 11.860 2.960 ( -0.332 4.652 1.356) 4.857 3.947 ( -5.229 1.987 2.808) 6.259 4.158 ( 1.652 -2.876 -2.975) 4.455 4.467 ( 1.114 3.103 2.507) 4.142 4.698 ( -2.731 -1.535 -2.505) 4.011 4.839 ( 1.918 -0.081 3.961) 4.402 4.956 ( 2.599 1.128 -3.920) 4.836 5.651 ( -5.330 -0.399 -0.141) 5.347 5.945 ( -3.071 -5.844 3.029) 7.263 6.408 ( 10.409 0.669 -4.081) 11.201======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( -0.590 0.483 -0.619) 0.982 2.465 ( -11.119 -8.139 -1.160) 13.828 2.993 ( -1.604 4.456 2.104) 5.182 3.907 ( -4.251 3.052 3.474) 6.281 4.127 ( -0.340 -3.742 -1.983) 4.248 4.507 ( -0.535 2.551 2.042) 3.311 4.588 ( -4.298 -6.346 -0.088) 7.665 4.842 ( -3.429 1.329 0.799) 3.763 5.015 ( 3.301 3.877 -4.539) 6.821 5.509 ( -8.318 -1.465 1.635) 8.603 5.926 ( 6.959 -11.342 2.030) 13.461 6.577 ( 10.536 2.418 -8.632) 13.834======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -2.110 1.290 -1.548) 2.918 2.203 ( -12.106 -5.048 -0.559) 13.128 3.002 ( -3.662 4.820 1.289) 6.189 3.875 ( -4.415 2.529 2.863) 5.839 4.067 ( -1.859 -3.631 -0.661) 4.133 4.450 ( -4.643 -6.695 4.335) 9.229 4.519 ( -1.276 2.030 -1.192) 2.678 4.785 ( -4.324 1.856 0.252) 4.712 5.097 ( 2.051 5.485 -2.329) 6.302 5.401 ( -3.439 -0.771 1.186) 3.718 5.939 ( 9.947 -15.812 0.165) 18.681 6.726 ( 8.850 2.174 -13.101) 15.959======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 0.000 0.432 -3.222) 3.251 2.058 ( 0.000 7.065 -0.187) 7.068 2.799 ( 0.000 -0.057 -1.515) 1.516 3.776 ( -0.000 5.652 1.163) 5.770 4.011 ( -0.000 1.052 0.389) 1.122 4.026 ( -0.000 -6.012 5.861) 8.396 4.416 ( 0.000 -1.159 -0.655) 1.331 4.925 ( -0.000 10.466 2.325) 10.721 5.009 ( 0.000 4.175 -3.303) 5.323 5.558 ( 0.000 2.055 -1.507) 2.548 5.713 ( 0.000 -10.703 -3.274) 11.192 7.508 ( 0.000 -2.017 -8.213) 8.457======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 0.857 0.261 -1.802) 2.013 2.192 ( 9.044 5.051 -0.493) 10.371 2.800 ( 1.544 -1.195 0.324) 1.979 3.847 ( 1.973 3.234 0.403) 3.810 3.986 ( 0.640 0.562 5.318) 5.386 4.083 ( 6.130 -3.919 -0.182) 7.278 4.402 ( -0.456 -0.780 0.093) 0.908 4.988 ( -1.646 5.097 -1.034) 5.455 5.030 ( -2.536 5.673 -0.773) 6.262 5.570 ( -0.247 0.336 -1.009) 1.092 5.660 ( 4.956 -5.148 -2.264) 7.496 7.392 ( -9.072 -0.286 -7.179) 11.573======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 1.953 0.827 -0.104) 2.124 2.427 ( 13.707 3.550 -1.282) 14.217 2.833 ( 3.104 -1.218 2.016) 3.897 3.896 ( 2.836 -0.286 0.827) 2.968 4.073 ( 3.285 3.393 3.412) 5.827 4.153 ( 8.508 -4.275 -1.084) 9.583 4.387 ( -1.118 -0.225 1.241) 1.685 4.976 ( -3.099 2.036 -1.648) 4.058 5.021 ( -3.713 4.188 -0.467) 5.616 5.555 ( -0.152 -0.540 -0.531) 0.773 5.750 ( 8.958 -1.462 -0.890) 9.120 7.165 ( -16.123 1.580 -5.270) 17.035======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 2.352 0.946 0.950) 2.708 2.668 ( 12.338 1.190 -1.909) 12.541 2.877 ( 2.511 -1.792 2.127) 3.747 3.954 ( 4.850 -1.451 -0.801) 5.125 4.127 ( 2.466 -2.121 0.421) 3.280 4.301 ( 8.420 2.432 0.549) 8.781 4.379 ( 0.383 0.696 3.711) 3.795 4.926 ( -3.623 1.158 -1.433) 4.065 4.988 ( -3.160 0.625 0.517) 3.262 5.564 ( 1.299 0.480 0.476) 1.464 5.895 ( 10.144 -1.097 -1.449) 10.305 6.863 ( -20.644 2.392 -2.739) 20.961======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 1.983 0.480 1.228) 2.381 2.798 ( 4.848 -7.493 0.014) 8.925 2.905 ( 2.410 2.311 -0.858) 3.448 4.004 ( 4.388 -3.049 -4.337) 6.881 4.129 ( -0.910 -0.858 2.193) 2.525 4.383 ( 2.680 1.504 2.119) 3.733 4.532 ( 9.346 4.234 3.218) 10.753 4.877 ( -3.231 0.209 1.117) 3.425 4.934 ( -1.849 -2.344 -0.053) 2.986 5.603 ( 2.686 -0.518 1.232) 3.000 6.040 ( 8.831 -0.970 -3.786) 9.657 6.527 ( -21.165 2.367 0.546) 21.304======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 1.227 0.015 0.966) 1.562 2.704 ( -2.971 -11.541 -0.296) 11.920 2.982 ( 2.664 3.049 -0.717) 4.111 4.012 ( 1.196 -1.837 -2.214) 3.115 4.108 ( -1.266 -0.594 0.503) 1.486 4.464 ( 3.402 1.681 3.111) 4.907 4.687 ( 2.447 0.193 -2.032) 3.187 4.833 ( -0.539 -0.414 7.028) 7.061 4.914 ( 1.760 -0.586 -2.413) 3.043 5.637 ( 2.792 -3.374 1.007) 4.494 6.031 ( -8.895 -5.156 -4.255) 11.127 6.340 ( -1.772 6.004 1.733) 6.496======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 0.444 0.023 0.372) 0.580 2.512 ( -6.259 -11.102 -0.581) 12.758 3.041 ( 1.130 2.923 0.532) 3.179 4.003 ( -1.782 1.138 1.476) 2.579 4.078 ( -0.031 -3.045 -1.400) 3.352 4.527 ( 1.223 0.253 3.515) 3.731 4.598 ( -4.577 -5.742 -2.435) 7.737 4.899 ( 0.598 3.353 3.480) 4.869 4.958 ( 4.111 1.224 -2.821) 5.134 5.618 ( -2.444 -3.761 0.265) 4.493 5.781 ( -6.897 -9.781 0.062) 11.968 6.463 ( 6.114 6.713 -2.387) 9.389======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( -0.334 0.484 -0.599) 0.839 2.301 ( -7.543 -7.873 -0.314) 10.908 3.080 ( -0.378 3.357 0.832) 3.479 3.974 ( -3.981 1.382 1.646) 4.524 4.043 ( 0.228 -3.859 -0.457) 3.893 4.452 ( -3.356 -6.956 1.187) 7.814 4.552 ( -0.636 0.970 -0.016) 1.160 4.903 ( -5.104 3.988 1.774) 6.716 5.049 ( 6.092 2.328 -3.566) 7.433 5.488 ( -7.508 -1.888 1.809) 7.950 5.666 ( 4.601 -14.131 -1.128) 14.904 6.612 ( 5.611 5.615 -4.905) 9.331======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( 0.000 0.539 -0.108) 0.550 2.145 ( 0.000 2.338 -0.316) 2.359 2.776 ( -0.000 -1.134 1.283) 1.712 3.867 ( -0.000 2.487 0.507) 2.538 3.970 ( -0.000 -3.334 3.771) 5.033 4.020 ( -0.000 -0.197 0.250) 0.319 4.402 ( -0.000 -0.265 0.942) 0.979 5.029 ( 0.000 2.542 -1.539) 2.971 5.104 ( 0.000 3.806 -0.057) 3.807 5.569 ( 0.000 -2.711 -1.472) 3.085 5.577 ( 0.000 1.147 -1.711) 2.060 7.447 ( 0.000 1.245 -6.335) 6.456======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 1.030 1.339 1.663) 2.371 2.238 ( 9.475 0.226 -0.615) 9.498 2.793 ( 1.729 0.069 2.425) 2.979 3.877 ( 0.228 -0.162 1.201) 1.233 3.994 ( 3.981 -4.427 -1.025) 6.041 4.052 ( 4.171 2.074 2.644) 5.356 4.404 ( -0.366 0.303 1.894) 1.953 5.027 ( -1.844 0.750 -0.983) 2.220 5.096 ( -2.558 0.246 -0.495) 2.617 5.555 ( -0.249 0.567 -0.612) 0.871 5.625 ( 5.111 0.895 -1.441) 5.385 7.376 ( -8.639 3.089 -4.874) 10.389======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 1.590 1.183 2.506) 3.195 2.426 ( 13.825 -2.801 -1.381) 14.174 2.838 ( 2.034 0.224 2.486) 3.220 3.893 ( 1.400 -0.480 0.287) 1.507 4.008 ( 5.357 -5.619 -1.600) 7.927 4.204 ( 8.485 3.914 3.020) 9.820 4.407 ( -0.841 0.647 2.931) 3.118 4.974 ( -2.959 -1.836 -1.718) 3.883 5.041 ( -3.207 -1.750 1.460) 3.934 5.560 ( 0.119 0.775 -0.366) 0.865 5.745 ( 7.716 2.464 -1.167) 8.183 7.190 ( -16.062 3.943 -2.959) 16.802======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( 1.735 0.209 2.489) 3.041 2.585 ( 10.917 -8.437 -1.164) 13.846 2.875 ( 1.994 0.306 0.372) 2.052 3.904 ( 2.397 -2.067 -3.843) 4.978 4.068 ( 6.043 -3.167 2.542) 7.281 4.376 ( 2.847 3.038 0.923) 4.264 4.447 ( 6.383 2.869 5.022) 8.614 4.903 ( -1.286 -3.555 -1.504) 4.068 4.965 ( -4.285 -2.851 3.331) 6.131 5.565 ( 1.003 -1.624 -0.510) 1.976 5.907 ( 7.754 4.714 -1.507) 9.199 6.908 ( -21.018 3.443 -0.447) 21.303======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 1.614 -0.586 2.039) 2.666 2.587 ( 2.821 -13.540 -0.164) 13.832 2.933 ( 4.367 0.996 -1.619) 4.763 3.917 ( 3.743 -2.489 -4.899) 6.649 4.123 ( 1.304 -1.628 3.263) 3.873 4.429 ( 2.775 1.473 2.320) 3.906 4.623 ( 6.117 2.054 0.829) 6.505 4.854 ( 0.489 -5.537 0.108) 5.560 4.894 ( -2.388 0.338 5.024) 5.573 5.555 ( 1.885 -4.817 -1.122) 5.293 6.047 ( 2.512 4.663 -3.098) 6.136 6.596 ( -18.954 3.557 3.758) 19.647======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 1.251 -0.598 1.438) 1.998 2.458 ( -1.573 -13.610 0.089) 13.701 3.011 ( 4.310 0.867 -1.267) 4.575 3.945 ( 4.171 -2.379 -3.783) 6.113 4.105 ( -2.410 -1.490 2.138) 3.550 4.502 ( 3.006 0.274 2.782) 4.105 4.604 ( -3.591 -5.688 -2.976) 7.356 4.851 ( 3.784 -2.969 -0.736) 4.865 4.957 ( 2.438 5.333 6.218) 8.547 5.528 ( 2.287 -7.012 -1.771) 7.585 5.950 ( -14.476 -1.032 -2.528) 14.731 6.498 ( -1.785 7.829 6.224) 10.160======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( -0.000 2.011 3.272) 3.841 2.145 ( -0.000 -2.116 -0.262) 2.132 2.799 ( -0.000 1.804 3.319) 3.777 3.860 ( -0.000 -3.208 -0.008) 3.208 3.949 ( -0.000 -0.909 1.831) 2.044 4.016 ( 0.000 -0.265 -0.208) 0.337 4.420 ( -0.000 0.726 2.422) 2.528 5.034 ( 0.000 -2.575 -1.457) 2.959 5.101 ( -0.000 -2.583 0.135) 2.587 5.578 ( 0.000 0.195 -1.576) 1.588 5.588 ( 0.000 5.238 0.247) 5.244 7.471 ( 0.000 4.903 -4.115) 6.401======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 0.330 1.185 3.746) 3.943 2.189 ( 8.816 -4.960 -0.701) 10.140 2.837 ( 0.562 1.714 3.602) 4.028 3.857 ( 4.245 -4.240 0.996) 6.082 3.908 ( -2.393 -1.475 -1.214) 3.062 4.101 ( 7.972 1.556 1.297) 8.225 4.434 ( -0.355 0.786 2.759) 2.891 4.961 ( -1.414 -7.603 -2.638) 8.171 5.069 ( -1.701 -2.034 2.087) 3.375 5.564 ( -0.655 -0.190 -1.707) 1.839 5.696 ( 4.092 8.129 1.127) 9.170 7.436 ( -8.945 5.780 -3.093) 11.090======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 0.803 -0.704 3.274) 3.444 2.298 ( 11.795 -9.439 -1.492) 15.180 2.860 ( 0.226 -0.443 2.278) 2.332 3.853 ( 0.301 -3.310 -3.720) 4.989 3.936 ( 6.699 -1.571 3.893) 7.905 4.287 ( 10.423 3.283 1.086) 10.982 4.442 ( -0.361 0.557 3.036) 3.108 4.852 ( -0.491 -9.028 -1.793) 9.218 5.017 ( -3.189 -2.266 2.988) 4.922 5.536 ( -0.634 -2.158 -2.462) 3.335 5.873 ( 5.372 10.450 2.076) 11.932 7.265 ( -16.897 5.228 -1.514) 17.752======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 1.620 -2.087 2.591) 3.700 2.353 ( 8.483 -14.330 -1.370) 16.709 2.869 ( 2.337 -1.630 0.137) 2.853 3.830 ( 2.026 -2.509 -4.267) 5.349 4.053 ( 6.168 -1.641 4.792) 7.981 4.420 ( 1.359 1.032 0.559) 1.796 4.525 ( 8.097 1.876 1.724) 8.488 4.772 ( 1.484 -7.877 -0.533) 8.033 4.953 ( -2.976 -1.408 4.115) 5.270 5.487 ( -0.240 -4.115 -3.097) 5.156 6.065 ( 3.706 10.769 2.114) 11.583 6.985 ( -21.258 4.087 1.751) 21.718======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 2.306 -2.152 2.064) 3.770 2.300 ( 3.728 -15.726 -0.322) 16.165 2.919 ( 5.478 -1.497 -1.045) 5.775 3.841 ( 3.718 -2.271 -4.049) 5.948 4.107 ( 0.911 -2.832 3.339) 4.472 4.463 ( 2.978 0.641 0.781) 3.145 4.574 ( -0.382 -6.457 -1.688) 6.685 4.764 ( 2.789 -2.856 -0.592) 4.036 4.973 ( 3.296 3.068 5.361) 7.001 5.435 ( 0.553 -4.810 -2.891) 5.639 6.150 ( -6.934 6.457 -0.695) 9.500 6.728 ( -14.156 5.937 8.987) 17.788======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -0.000 -0.332 4.027) 4.041 2.054 ( -0.000 -7.337 -0.535) 7.356 2.866 ( -0.000 1.250 4.427) 4.601 3.768 ( -0.000 -5.919 0.418) 5.934 3.969 ( -0.000 2.226 0.599) 2.306 4.001 ( 0.000 -0.988 -0.547) 1.129 4.453 ( -0.000 0.656 2.524) 2.608 4.864 ( 0.000 -11.719 -3.093) 12.120 5.072 ( -0.000 -2.150 2.450) 3.260 5.562 ( 0.000 -0.909 -1.078) 1.410 5.768 ( 0.000 12.459 1.691) 12.573 7.562 ( 0.000 6.839 -3.229) 7.563======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( -0.091 -3.080 3.249) 4.478 2.033 ( 7.375 -10.855 -1.128) 13.172 2.869 ( -1.109 -2.229 3.774) 4.521 3.752 ( 4.099 -5.666 0.054) 6.993 3.913 ( -2.225 0.703 0.772) 2.458 4.139 ( 10.283 2.259 0.170) 10.530 4.462 ( -0.411 0.125 2.135) 2.177 4.740 ( 0.485 -12.198 -2.186) 12.402 5.044 ( -1.670 -2.499 2.628) 3.993 5.532 ( -1.636 -1.619 -1.423) 2.706 5.933 ( 2.964 14.585 2.671) 15.121 7.537 ( -9.549 6.580 -2.960) 11.968======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 1.271 -5.086 2.302) 5.726 2.051 ( 9.568 -14.856 -1.829) 17.765 2.824 ( -0.173 -5.636 2.137) 6.030 3.757 ( 2.285 -3.935 -2.634) 5.257 3.955 ( 5.277 -0.483 4.187) 6.754 4.342 ( 9.611 1.847 -0.411) 9.796 4.466 ( 1.017 0.275 1.770) 2.060 4.647 ( 2.401 -10.029 -1.303) 10.394 4.993 ( -2.530 -2.359 2.987) 4.570 5.472 ( -2.419 -2.129 -2.143) 3.871 6.142 ( 3.181 14.880 3.825) 15.690 7.358 ( -17.501 5.262 -1.147) 18.311======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( 3.345 -5.328 1.808) 6.545 2.040 ( 8.089 -16.879 -1.434) 18.772 2.803 ( 4.329 -5.932 0.967) 7.407 3.752 ( 2.665 -2.862 -3.242) 5.080 4.046 ( 4.442 -2.824 3.834) 6.512 4.410 ( 2.426 -3.278 -0.361) 4.094 4.508 ( 0.869 -3.291 0.831) 3.504 4.666 ( 7.255 -1.145 -3.655) 8.204 4.960 ( 0.368 -1.091 3.888) 4.055 5.410 ( -1.841 -1.192 -1.738) 2.798 6.312 ( -1.734 12.483 2.848) 12.921 7.091 ( -19.103 4.699 4.892) 20.271======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( -0.000 -6.542 2.523) 7.012 1.852 ( -0.000 -13.240 -1.143) 13.289 2.855 ( -0.000 -6.792 3.711) 7.740 3.661 ( -0.000 -5.402 1.151) 5.523 3.977 ( -0.000 -1.138 0.038) 1.138 4.034 ( 0.000 3.896 -0.331) 3.910 4.470 ( -0.000 -0.817 1.581) 1.779 4.612 ( -0.000 -11.326 -0.853) 11.358 5.041 ( -0.000 -2.735 2.132) 3.468 5.530 ( -0.000 -1.881 -0.222) 1.894 6.071 ( 0.000 17.322 2.255) 17.468 7.671 ( 0.000 6.977 -4.368) 8.232======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( 0.728 -9.170 1.482) 9.317 1.762 ( 6.187 -16.149 -1.622) 17.369 2.761 ( -0.832 -12.186 2.198) 12.410 3.655 ( 3.729 -4.599 0.326) 5.930 3.925 ( -1.221 -0.412 1.385) 1.892 4.188 ( 10.559 2.572 -0.687) 10.889 4.453 ( 0.322 -4.060 1.604) 4.377 4.533 ( 0.478 -5.914 0.431) 5.949 5.010 ( -1.320 -2.618 1.751) 3.415 5.492 ( -2.090 -1.758 -0.275) 2.745 6.269 ( 1.923 17.925 3.063) 18.286 7.635 ( -9.977 6.213 -4.594) 12.620======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 3.625 -9.735 0.849) 10.422 1.721 ( 8.982 -17.810 -1.944) 20.041 2.654 ( 3.436 -13.867 1.493) 14.364 3.669 ( 2.807 -3.637 -1.718) 4.905 3.951 ( 4.169 -2.415 2.409) 5.386 4.331 ( 3.181 -3.631 1.575) 5.078 4.479 ( 8.547 -0.593 -1.568) 8.710 4.503 ( 0.337 -2.179 -0.578) 2.280 4.969 ( -1.403 -1.966 2.080) 3.187 5.441 ( -2.337 -0.026 -0.474) 2.385 6.473 ( 0.336 16.383 3.898) 16.844 7.446 ( -16.740 4.812 -1.201) 17.459======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -0.000 -12.735 0.697) 12.754 1.540 ( -0.000 -17.966 -1.583) 18.036 2.617 ( -0.000 -19.847 0.164) 19.847 3.583 ( -0.000 -3.763 1.593) 4.087 3.964 ( -0.000 -0.482 0.999) 1.109 4.085 ( 0.000 1.499 -1.342) 2.012 4.395 ( -0.000 -7.849 4.453) 9.024 4.516 ( -0.000 0.394 0.518) 0.651 5.000 ( -0.000 -2.419 0.586) 2.489 5.492 ( -0.000 -2.184 0.969) 2.389 6.441 ( 0.000 19.147 2.790) 19.350 7.760 ( 0.000 6.543 -7.554) 9.994======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 2.586 -14.138 -0.050) 14.373 1.409 ( 6.085 -19.117 -1.759) 20.139 2.421 ( 3.162 -23.555 -0.879) 23.783 3.583 ( 2.722 -3.218 0.578) 4.254 3.918 ( -1.858 -1.135 1.344) 2.559 4.207 ( 9.903 0.038 -1.730) 10.053 4.345 ( 1.347 -7.412 5.386) 9.261 4.522 ( -0.813 1.682 0.029) 1.869 4.974 ( -0.754 -1.644 0.177) 1.817 5.467 ( -1.091 -1.104 1.011) 1.853 6.643 ( 0.739 18.162 4.261) 18.670 7.706 ( -9.919 5.646 -7.782) 13.814======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -0.000 -17.125 -0.461) 17.132 1.161 ( -0.000 -20.223 -1.457) 20.275 2.119 ( -0.000 -30.135 -3.288) 30.314 3.538 ( -0.000 -2.334 1.735) 2.908 3.969 ( -0.000 0.051 1.131) 1.132 4.072 ( 0.000 -1.612 -1.302) 2.072 4.290 ( -0.000 -8.023 8.041) 11.359 4.548 ( 0.000 2.240 -1.074) 2.484 4.967 ( 0.000 -0.711 -0.637) 0.954 5.465 ( -0.000 -1.740 2.237) 2.834 6.826 ( -0.000 17.485 6.365) 18.607 7.811 ( 0.000 6.198 -13.140) 14.528======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( -0.000 -0.000 17.889) 17.889 0.398 ( -0.000 -0.000 17.889) 17.889 0.694 ( -0.000 -0.000 31.912) 31.912 3.494 ( 0.000 0.000 -0.118) 0.118 3.494 ( 0.000 0.000 -0.118) 0.118 3.943 ( 0.000 0.000 -3.145) 3.145 3.943 ( 0.000 0.000 -3.145) 3.145 4.928 ( 0.000 0.000 -7.087) 7.087 5.467 ( -0.000 -0.000 2.372) 2.372 5.467 ( -0.000 0.000 2.372) 2.372 6.006 ( -0.000 -0.000 2.508) 2.508 9.294 ( -0.000 -0.000 0.718) 0.718======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 10.475 6.048 14.197) 18.651 0.607 ( 10.818 6.246 13.197) 18.171 1.043 ( 19.206 11.089 19.057) 29.240 3.518 ( 1.444 0.834 0.240) 1.685 3.675 ( 10.502 6.063 -7.692) 14.361 3.929 ( -0.037 -0.021 -3.207) 3.208 4.028 ( 9.078 5.241 -3.097) 10.930 4.840 ( -5.836 -3.369 -3.341) 7.521 5.108 ( -10.963 -6.329 11.994) 17.438 5.522 ( 1.809 1.044 3.318) 3.921 6.555 ( 23.949 13.827 -20.793) 34.599 8.734 ( -36.244 -20.925 22.008) 47.285======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( 12.223 7.057 8.190) 16.318 0.921 ( 13.763 7.946 8.347) 17.950 1.565 ( 22.911 13.228 6.831) 27.323 3.560 ( 2.251 1.299 0.656) 2.680 3.851 ( 8.388 4.843 -3.867) 10.429 3.922 ( 0.434 0.251 -2.912) 2.955 4.286 ( 13.695 7.907 -1.403) 15.876 4.705 ( -5.466 -3.156 1.608) 6.513 4.996 ( -4.120 -2.378 3.815) 6.098 5.558 ( 0.410 0.236 2.605) 2.648 6.821 ( 8.203 4.736 -18.945) 21.181 8.049 ( -32.617 -18.831 16.820) 41.248======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 11.625 6.712 2.306) 13.621 1.257 ( 14.221 8.211 4.825) 17.115 2.073 ( 21.571 12.454 0.272) 24.910 3.623 ( 3.118 1.800 1.117) 3.770 3.928 ( 0.956 0.552 -2.378) 2.621 4.033 ( 8.345 4.818 1.197) 9.710 4.553 ( 5.123 2.958 -2.532) 6.434 4.654 ( 5.002 2.888 7.155) 9.196 4.913 ( -4.108 -2.372 -0.589) 4.779 5.554 ( -1.381 -0.797 0.900) 1.831 6.842 ( 0.114 0.066 -15.275) 15.276 7.385 ( -31.357 -18.104 6.278) 36.749======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( 9.629 5.559 -1.992) 11.295 1.570 ( 12.828 7.406 2.328) 14.994 2.505 ( 17.667 10.200 -2.170) 20.515 3.704 ( 3.829 2.211 1.289) 4.606 3.947 ( 1.312 0.758 -1.482) 2.119 4.216 ( 7.051 4.071 5.174) 9.647 4.540 ( -1.288 -0.744 1.072) 1.834 4.808 ( -4.181 -2.414 -2.248) 5.325 4.918 ( 11.210 6.472 4.422) 13.679 5.508 ( -2.572 -1.485 -0.620) 3.034 6.712 ( -29.541 -17.055 2.761) 34.222 6.761 ( -2.710 -1.565 -16.910) 17.197======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 6.610 3.817 -4.001) 8.618 1.830 ( 10.041 5.797 0.911) 11.630 2.826 ( 11.985 6.919 -2.627) 14.086 3.794 ( 3.792 2.190 0.675) 4.431 3.974 ( 1.369 0.790 -0.132) 1.586 4.378 ( 5.527 3.191 7.531) 9.872 4.513 ( -2.178 -1.257 0.391) 2.545 4.729 ( -0.684 -0.395 -4.231) 4.304 5.143 ( 7.321 4.227 3.422) 9.120 5.447 ( -2.511 -1.449 -0.898) 3.035 6.083 ( -25.354 -14.638 -6.537) 29.997 6.682 ( -0.926 -0.535 -6.724) 6.808======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 3.708 2.141 -4.022) 5.874 2.015 ( 6.422 3.708 0.410) 7.427 3.013 ( 5.980 3.453 -3.780) 7.872 3.868 ( 2.764 1.596 -0.480) 3.227 4.001 ( 0.784 0.453 1.109) 1.432 4.412 ( -4.811 -2.777 0.131) 5.556 4.515 ( 3.169 1.829 2.016) 4.178 4.783 ( 6.263 3.616 -0.570) 7.254 5.237 ( -0.378 -0.218 -1.549) 1.610 5.403 ( -1.209 -0.698 0.353) 1.440 5.601 ( -14.586 -8.421 -4.371) 17.401 6.688 ( 2.438 1.408 1.579) 3.228======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 2.093 1.208 -3.068) 3.905 2.113 ( 2.353 1.359 0.409) 2.748 3.074 ( 1.473 0.851 -6.001) 6.238 3.910 ( 1.205 0.696 -1.240) 1.864 4.008 ( -0.673 -0.389 1.359) 1.566 4.297 ( -4.348 -2.510 -4.906) 7.019 4.558 ( 0.509 0.294 0.045) 0.590 4.963 ( 8.230 4.752 2.139) 9.741 5.097 ( -7.493 -4.326 -4.927) 9.956 5.400 ( 0.545 0.315 2.310) 2.395 5.460 ( -0.694 -0.401 2.113) 2.260 6.797 ( 5.480 3.164 9.281) 11.233======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 1.285 0.742 -1.848) 2.370 2.120 ( -1.973 -1.139 0.647) 2.368 3.056 ( -0.663 -0.383 -6.437) 6.483 3.901 ( -1.917 -1.107 -1.843) 2.881 3.990 ( -0.856 -0.494 1.046) 1.439 4.195 ( -2.803 -1.618 -7.696) 8.349 4.552 ( -0.546 -0.315 -1.571) 1.693 4.922 ( -6.430 -3.712 1.814) 7.643 5.134 ( 3.889 2.245 -1.879) 4.868 5.437 ( 1.625 0.938 3.574) 4.037 5.523 ( 6.446 3.722 3.195) 8.100 6.985 ( 7.511 4.336 14.733) 17.096======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( -1.365 -0.788 -0.908) 1.819 2.028 ( -6.672 -3.852 0.897) 7.756 3.008 ( -2.337 -1.349 -3.696) 4.577 3.816 ( -4.603 -2.658 -2.313) 5.797 3.983 ( -0.245 -0.142 0.463) 0.543 4.122 ( -1.292 -0.746 -7.965) 8.104 4.529 ( -0.932 -0.538 -1.510) 1.854 4.787 ( -6.631 -3.829 1.195) 7.750 5.131 ( -2.300 -1.328 -1.943) 3.291 5.485 ( 1.398 0.807 3.236) 3.616 5.768 ( 13.869 8.007 1.648) 16.099 7.216 ( 8.094 4.673 17.118) 19.503======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( -6.549 -3.781 -0.760) 7.601 1.829 ( -11.625 -6.711 0.881) 13.452 2.896 ( -8.213 -4.742 -0.197) 9.486 3.702 ( -4.637 -2.677 -2.544) 5.929 3.978 ( -0.231 -0.133 -0.076) 0.277 4.084 ( -0.124 -0.071 -4.736) 4.738 4.502 ( -1.089 -0.629 -1.154) 1.707 4.639 ( -6.071 -3.505 -3.657) 7.906 5.061 ( -3.266 -1.886 0.013) 3.772 5.512 ( 0.179 0.103 1.432) 1.447 6.109 ( 16.585 9.575 -1.460) 19.206 7.448 ( 7.288 4.208 16.497) 18.519======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -11.593 -6.693 -0.694) 13.404 1.528 ( -15.669 -9.047 0.784) 18.110 2.608 ( -18.289 -10.559 1.694) 21.186 3.604 ( -3.389 -1.957 -2.285) 4.532 3.973 ( -0.122 -0.070 -0.604) 0.620 4.080 ( 0.206 0.119 -0.414) 0.477 4.447 ( -4.556 -2.631 -4.977) 7.243 4.531 ( -0.947 -0.547 -2.921) 3.119 4.998 ( -2.418 -1.396 0.922) 2.940 5.502 ( -1.093 -0.631 -0.834) 1.513 6.476 ( 17.313 9.996 -3.941) 20.376 7.646 ( 5.842 3.373 14.125) 15.654======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( -0.000 10.196 12.862) 16.413 0.669 ( -0.000 11.783 15.842) 19.743 1.127 ( -0.000 21.223 19.155) 28.589 3.484 ( 0.000 -0.075 -0.300) 0.309 3.683 ( 0.000 13.972 -6.134) 15.259 3.924 ( 0.000 0.248 -3.685) 3.693 3.967 ( 0.000 4.200 -2.456) 4.865 4.825 ( 0.000 -5.299 -5.576) 7.692 5.169 ( -0.000 -15.262 13.193) 20.173 5.438 ( -0.000 -1.913 1.566) 2.472 6.537 ( 0.000 27.984 -14.670) 31.597 8.842 ( -0.000 -34.377 16.355) 38.070======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 7.884 11.510 10.035) 17.185 0.889 ( 6.123 12.003 12.000) 18.043 1.484 ( 10.224 22.191 9.224) 26.117 3.520 ( 3.477 0.298 0.029) 3.490 3.791 ( 1.979 7.506 -3.881) 8.679 3.935 ( 0.635 4.131 -4.028) 5.805 4.117 ( 12.508 5.729 -2.001) 13.902 4.730 ( -2.611 -5.499 -2.087) 6.435 5.050 ( -4.060 -5.820 6.826) 9.846 5.486 ( 5.168 -3.736 1.712) 6.603 6.739 ( 3.947 12.696 -13.783) 19.150 8.380 ( -22.751 -26.057 14.846) 37.642======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 7.376 9.937 6.482) 13.970 1.179 ( 10.223 12.705 6.615) 17.598 1.914 ( 14.947 19.000 1.296) 24.209 3.591 ( 3.541 1.785 0.559) 4.004 3.872 ( 3.859 0.498 -1.196) 4.070 4.011 ( 2.954 8.563 -1.801) 9.236 4.409 ( 14.691 5.878 -1.749) 15.920 4.645 ( -1.118 -3.944 1.875) 4.508 4.959 ( -4.094 -3.261 1.388) 5.415 5.518 ( 2.482 -4.159 0.880) 4.923 6.796 ( 0.249 2.108 -11.755) 11.945 7.761 ( -29.957 -19.043 7.618) 36.306======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 7.306 7.822 0.849) 10.737 1.491 ( 10.062 12.829 3.809) 16.743 2.331 ( 15.767 14.367 -1.914) 21.417 3.674 ( 3.466 2.995 0.928) 4.674 3.921 ( 2.361 0.864 -1.668) 3.017 4.170 ( 6.191 6.913 2.940) 9.735 4.540 ( 0.252 -1.238 -1.068) 1.654 4.770 ( 13.668 3.036 4.451) 14.691 4.854 ( -4.887 -2.447 -2.637) 6.068 5.497 ( -0.151 -4.134 0.143) 4.140 6.733 ( -1.819 -3.118 -9.198) 9.880 7.095 ( -32.614 -13.747 -0.343) 35.394======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 6.315 5.475 -2.809) 8.817 1.771 ( 8.017 11.878 1.973) 14.466 2.681 ( 13.278 9.456 -2.358) 16.470 3.766 ( 3.328 3.592 0.783) 4.959 3.962 ( 1.698 1.788 -1.137) 2.715 4.347 ( 5.981 5.422 5.180) 9.592 4.526 ( -0.451 -1.770 1.791) 2.558 4.743 ( -3.913 -0.969 -5.071) 6.478 5.017 ( 11.490 0.415 0.902) 11.533 5.448 ( -1.301 -3.100 0.716) 3.438 6.441 ( -31.642 -8.305 -5.301) 33.141 6.648 ( -0.288 -3.963 -5.077) 6.447======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 4.443 3.265 -4.011) 6.818 1.990 ( 4.938 10.178 1.087) 11.365 2.921 ( 8.222 4.980 -2.949) 10.055 3.852 ( 2.408 3.707 -0.071) 4.421 4.003 ( 1.053 2.017 0.142) 2.280 4.467 ( -3.268 -2.466 -2.330) 4.711 4.497 ( 2.517 3.539 6.251) 7.611 4.724 ( 3.421 2.774 -2.963) 5.308 5.135 ( 6.087 -6.152 -3.889) 9.488 5.421 ( -0.574 0.494 2.622) 2.729 5.890 ( -25.639 -1.350 -5.829) 26.328 6.636 ( 3.692 -2.795 2.060) 5.068======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 2.743 1.814 -3.677) 4.933 2.133 ( 1.181 8.145 0.903) 8.280 3.028 ( 2.888 1.639 -4.979) 5.985 3.913 ( 0.922 3.591 -0.868) 3.808 4.025 ( -0.705 0.901 0.767) 1.377 4.352 ( -5.577 -1.008 -4.454) 7.208 4.557 ( 0.365 1.115 0.580) 1.309 4.870 ( 8.636 4.923 0.934) 9.985 5.085 ( -0.340 -8.684 -4.745) 9.901 5.451 ( 0.179 3.642 2.922) 4.672 5.564 ( -13.160 3.057 -0.900) 13.540 6.729 ( 7.365 -1.357 8.730) 11.502======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 1.934 1.122 -2.795) 3.579 2.189 ( -3.057 6.027 1.108) 6.848 3.032 ( -0.058 -0.293 -6.573) 6.580 3.942 ( -1.586 3.675 -1.285) 4.204 3.993 ( -1.872 -2.458 -0.210) 3.097 4.252 ( -5.118 2.770 -5.967) 8.335 4.552 ( -0.647 -0.053 -2.134) 2.230 4.974 ( -3.473 -5.082 0.351) 6.165 5.058 ( 7.452 3.125 -0.074) 8.081 5.462 ( -3.715 1.667 2.615) 4.839 5.522 ( 2.175 6.341 2.655) 7.210 6.904 ( 10.034 -0.671 13.181) 16.580======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 0.660 -0.026 -1.900) 2.012 2.151 ( -7.755 3.539 1.403) 8.638 2.995 ( -0.506 -1.644 -5.381) 5.649 3.878 ( -5.476 -1.557 -1.317) 5.844 3.971 ( 0.064 0.552 -2.177) 2.247 4.193 ( -4.979 6.286 -5.368) 9.650 4.530 ( -0.665 -0.489 -2.356) 2.496 4.865 ( -5.830 -3.836 2.639) 7.461 5.129 ( 0.479 -1.043 -2.038) 2.339 5.462 ( 1.146 -0.803 3.960) 4.200 5.693 ( 7.764 10.861 1.379) 13.422 7.128 ( 11.465 -0.865 14.917) 18.834======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( -3.306 -2.333 -1.468) 4.304 2.005 ( -12.737 0.225 1.408) 12.816 2.937 ( -2.678 -3.837 -2.416) 5.266 3.764 ( -5.459 -1.694 -1.316) 5.866 3.965 ( -0.683 0.865 -2.932) 3.132 4.169 ( -4.458 8.381 -3.087) 9.983 4.505 ( -0.767 -0.877 -1.675) 2.041 4.715 ( -8.107 -3.999 -0.065) 9.040 5.083 ( -2.108 -2.512 -1.301) 3.528 5.487 ( 1.712 -2.359 2.780) 4.028 5.974 ( 12.095 12.181 -1.172) 17.206 7.357 ( 11.368 -1.909 13.856) 18.024======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( -8.863 -4.363 -1.151) 9.945 1.747 ( -17.060 -2.969 1.276) 17.363 2.775 ( -11.068 -7.103 -0.420) 13.158 3.662 ( -5.174 -0.311 -0.967) 5.273 3.945 ( -0.816 -0.469 -2.211) 2.403 4.184 ( -3.816 9.532 0.151) 10.268 4.473 ( -2.150 -1.477 -1.952) 3.258 4.549 ( -5.284 -2.872 -3.021) 6.730 5.021 ( -2.113 -2.297 -0.315) 3.137 5.488 ( 0.683 -2.728 0.611) 2.877 6.302 ( 14.599 11.465 -3.289) 18.852 7.554 ( 10.331 -3.597 10.798) 15.371======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( -0.000 14.815 8.003) 16.839 1.005 ( -0.000 12.022 12.906) 17.638 1.672 ( -0.000 25.480 5.958) 26.168 3.490 ( 0.000 0.866 0.007) 0.866 3.900 ( 0.000 13.025 -4.393) 13.746 3.905 ( 0.000 0.563 -3.504) 3.549 4.053 ( 0.000 5.239 -0.035) 5.240 4.685 ( 0.000 -5.883 -2.497) 6.391 5.045 ( -0.000 -6.470 5.865) 8.733 5.422 ( -0.000 -0.552 1.029) 1.168 6.780 ( 0.000 7.188 -8.545) 11.166 8.352 ( -0.000 -26.558 9.201) 28.107======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 4.144 13.697 7.058) 15.956 1.192 ( 5.434 12.213 8.257) 15.712 1.964 ( 4.867 23.669 0.318) 24.166 3.540 ( 4.147 1.615 0.303) 4.460 3.861 ( -1.504 2.372 -1.151) 3.035 4.053 ( 1.819 9.671 -2.881) 10.253 4.215 ( 12.884 5.150 0.230) 13.877 4.618 ( -0.676 -4.859 -0.685) 4.953 4.986 ( -2.505 -4.065 1.893) 5.136 5.447 ( 2.293 -1.121 0.848) 2.690 6.777 ( -0.680 -2.250 -5.655) 6.124 7.995 ( -17.142 -19.925 2.843) 26.437======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( 3.124 9.102 3.465) 10.228 1.484 ( 9.283 14.978 4.684) 18.234 2.275 ( 8.586 18.617 -2.671) 20.675 3.642 ( 4.746 3.117 0.531) 5.702 3.884 ( 2.002 1.400 -0.595) 2.515 4.172 ( 3.280 8.333 0.719) 8.984 4.474 ( 9.258 2.154 -2.455) 9.817 4.601 ( 5.964 -2.145 3.430) 7.206 4.899 ( -4.132 -2.459 -1.888) 5.166 5.463 ( 0.728 -1.638 1.136) 2.122 6.682 ( -1.462 -9.398 -3.363) 10.088 7.470 ( -26.638 -11.623 -4.055) 29.345======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 3.778 6.574 -0.969) 7.644 1.786 ( 7.699 15.233 3.081) 17.344 2.575 ( 10.455 12.514 -2.456) 16.491 3.751 ( 3.797 4.347 0.723) 5.817 3.936 ( 2.758 1.513 -1.125) 3.341 4.325 ( 5.195 6.891 3.051) 9.153 4.510 ( 0.760 -1.652 0.654) 1.933 4.793 ( -0.756 -2.071 -1.012) 2.426 4.800 ( 8.824 -0.278 -3.993) 9.690 5.453 ( -0.881 -0.716 2.552) 2.793 6.552 ( -0.230 -13.337 1.351) 13.407 6.898 ( -29.915 -2.449 -10.518) 31.805======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( 3.665 4.281 -3.103) 6.433 2.041 ( 4.579 14.512 2.004) 15.348 2.826 ( 8.846 7.175 -1.787) 11.529 3.852 ( 2.733 4.791 0.430) 5.532 3.995 ( 2.514 2.263 -0.486) 3.417 4.448 ( 1.722 0.002 -0.675) 1.850 4.531 ( 1.615 3.044 5.081) 6.139 4.719 ( -1.734 2.397 -5.034) 5.839 4.928 ( 8.533 -6.893 -4.923) 12.023 5.452 ( -0.690 1.501 3.496) 3.867 6.301 ( -23.807 -4.436 -1.812) 24.284 6.549 ( -0.559 -3.223 -3.036) 4.463======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 2.835 2.649 -3.415) 5.169 2.225 ( 0.975 13.065 1.737) 13.216 2.978 ( 4.289 3.149 -2.708) 5.971 3.931 ( 1.341 4.452 -0.530) 4.680 4.049 ( 0.527 2.486 0.871) 2.687 4.402 ( -2.841 -1.536 -4.188) 5.289 4.584 ( -1.540 2.894 0.850) 3.387 4.791 ( 6.394 5.017 -0.579) 8.148 4.940 ( 5.127 -8.674 -4.609) 11.080 5.483 ( 0.469 2.995 2.348) 3.835 5.897 ( -21.710 4.217 -2.996) 22.317 6.595 ( 8.096 -5.183 6.996) 11.889======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( 1.991 1.808 -2.931) 3.978 2.332 ( -3.026 11.351 2.084) 11.931 3.014 ( -0.022 0.439 -4.505) 4.526 3.971 ( -0.124 1.634 -1.862) 2.480 4.046 ( -3.608 2.118 1.069) 4.319 4.339 ( -3.179 3.478 -5.550) 7.280 4.563 ( -1.828 0.639 -3.054) 3.616 4.921 ( 3.265 -4.781 -1.757) 6.050 4.967 ( 7.300 2.652 1.796) 7.972 5.534 ( 0.439 3.378 0.668) 3.471 5.662 ( -11.874 6.533 1.636) 13.651 6.740 ( 11.239 -5.100 10.980) 16.520======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 1.183 1.029 -2.324) 2.803 2.351 ( -7.789 9.116 2.571) 12.263 2.975 ( -1.400 -1.480 -5.023) 5.420 3.916 ( -3.389 -3.983 -1.487) 5.437 4.027 ( -3.199 5.917 -1.455) 6.882 4.320 ( -3.552 7.246 -4.581) 9.279 4.530 ( -1.093 0.032 -3.341) 3.515 4.900 ( -1.172 -3.477 1.966) 4.163 5.082 ( 3.562 -0.458 -0.883) 3.698 5.503 ( -4.586 0.906 2.604) 5.351 5.701 ( 3.678 9.905 1.216) 10.636 6.934 ( 13.305 -5.837 11.912) 18.788======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -1.061 -0.427 -1.922) 2.237 2.256 ( -13.258 5.179 2.322) 14.422 2.921 ( -1.057 -2.694 -3.241) 4.345 3.816 ( -3.852 -2.911 -0.108) 4.829 4.023 ( -3.289 5.861 -3.719) 7.681 4.322 ( -4.062 8.902 -2.572) 10.118 4.503 ( -0.905 -0.161 -2.405) 2.575 4.812 ( -6.699 -3.304 1.828) 7.690 5.073 ( -0.649 -3.107 -2.379) 3.967 5.466 ( -1.129 -1.663 3.808) 4.306 5.913 ( 8.800 11.565 -1.579) 14.618 7.140 ( 14.130 -7.339 10.135) 18.874======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( -5.421 -1.762 -1.615) 5.924 2.032 ( -17.582 0.821 1.744) 17.688 2.844 ( -4.672 -3.658 -1.622) 6.151 3.736 ( -4.043 -0.901 1.229) 4.321 4.000 ( -4.012 4.616 -4.166) 7.400 4.340 ( -3.547 8.654 -0.049) 9.353 4.482 ( -0.909 0.604 -1.342) 1.730 4.641 ( -9.437 -3.164 -0.171) 9.955 5.019 ( -1.121 -2.916 -1.897) 3.655 5.449 ( 0.463 -3.111 2.294) 3.893 6.182 ( 11.589 10.703 -3.643) 16.191 7.320 ( 13.591 -9.409 6.128) 17.630======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -0.000 16.557 4.639) 17.195 1.286 ( -0.000 9.382 7.855) 12.236 2.157 ( 0.000 23.419 -2.416) 23.543 3.518 ( -0.000 1.987 0.460) 2.039 3.904 ( 0.000 1.526 -2.255) 2.723 4.125 ( 0.000 11.752 -1.726) 11.878 4.152 ( -0.000 4.226 4.226) 5.977 4.577 ( -0.000 -4.051 -0.612) 4.097 4.974 ( -0.000 -3.388 0.288) 3.400 5.433 ( -0.000 1.101 0.437) 1.185 6.712 ( 0.000 -10.247 -2.186) 10.477 7.957 ( 0.000 -16.505 -3.072) 16.788======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 0.526 7.882 3.742) 8.741 1.506 ( 6.898 15.859 3.566) 17.658 2.369 ( 1.968 19.617 -4.122) 20.142 3.586 ( 4.747 2.917 0.457) 5.591 3.897 ( -1.198 2.109 -0.031) 2.426 4.209 ( 2.144 5.844 0.673) 6.261 4.328 ( 8.886 6.400 2.636) 11.264 4.547 ( 0.568 -2.423 1.187) 2.757 4.926 ( -2.321 -1.810 -2.433) 3.818 5.454 ( 0.570 1.194 0.565) 1.439 6.569 ( -0.637 -16.456 -0.965) 16.497 7.687 ( -14.022 -9.963 -8.083) 19.006======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 1.282 5.867 -0.235) 6.010 1.806 ( 9.141 15.528 2.704) 18.221 2.570 ( 4.589 14.082 -3.083) 15.128 3.713 ( 5.888 4.069 -0.177) 7.160 3.915 ( 0.909 1.592 1.316) 2.257 4.325 ( 4.326 6.026 1.792) 7.632 4.464 ( 3.003 -1.586 -0.766) 3.481 4.615 ( 7.490 1.270 3.440) 8.340 4.852 ( -3.961 0.324 -4.856) 6.275 5.474 ( -0.088 1.349 1.936) 2.362 6.397 ( 0.940 -17.939 0.128) 17.965 7.278 ( -22.816 -3.286 -11.234) 25.643======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 2.174 4.154 -2.358) 5.248 2.100 ( 7.136 15.297 1.871) 16.983 2.767 ( 6.605 8.605 -1.088) 10.902 3.844 ( 4.541 5.090 -0.516) 6.840 3.965 ( 2.780 1.430 1.912) 3.665 4.425 ( 0.544 -0.270 0.069) 0.611 4.514 ( 6.215 2.431 1.589) 6.860 4.732 ( 5.729 -2.817 -0.322) 6.392 4.779 ( -3.990 2.924 -6.216) 7.944 5.492 ( -0.605 1.955 2.682) 3.373 6.289 ( 4.357 -14.458 3.524) 15.506 6.823 ( -25.268 1.832 -11.575) 27.854======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 2.471 2.942 -2.764) 4.733 2.336 ( 3.261 14.539 1.555) 14.981 2.928 ( 5.260 4.246 -0.525) 6.780 3.949 ( 2.078 5.160 -0.205) 5.566 4.046 ( 3.519 2.350 2.177) 4.759 4.392 ( -0.784 -2.752 -2.451) 3.768 4.653 ( 1.851 4.808 2.619) 5.780 4.726 ( 2.654 -4.104 -8.958) 10.204 4.783 ( 2.810 1.748 0.388) 3.332 5.512 ( -0.075 2.354 1.295) 2.688 6.232 ( -8.044 -3.348 2.789) 9.148 6.483 ( -7.058 -1.461 -3.399) 7.969======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 2.078 2.278 -2.407) 3.911 2.496 ( -0.752 13.247 2.104) 13.434 3.003 ( 1.123 0.971 -1.728) 2.279 3.995 ( -1.269 2.468 -0.797) 2.887 4.115 ( 0.039 2.980 2.697) 4.020 4.360 ( 0.486 0.452 -4.608) 4.656 4.614 ( -4.158 1.738 -6.692) 8.068 4.786 ( 7.047 -3.841 0.740) 8.060 4.889 ( 5.538 3.686 0.844) 6.706 5.551 ( 1.301 3.144 -0.017) 3.403 5.985 ( -18.316 5.907 -0.634) 19.255 6.524 ( 10.759 -7.782 7.368) 15.186======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 1.317 1.744 -2.005) 2.966 2.576 ( -5.294 11.504 3.076) 13.032 2.978 ( -2.224 -1.653 -3.215) 4.244 3.943 ( -4.215 -1.688 -0.919) 4.632 4.131 ( -2.529 4.524 0.760) 5.238 4.379 ( 0.933 3.110 -4.250) 5.348 4.561 ( -2.534 3.523 -5.862) 7.294 4.855 ( 3.664 -2.181 2.058) 4.735 5.004 ( 5.041 0.069 -0.140) 5.043 5.592 ( -1.493 2.949 -1.089) 3.481 5.814 ( -8.161 7.293 2.625) 11.256 6.674 ( 13.306 -9.103 8.300) 18.133======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 0.009 0.894 -1.833) 2.039 2.539 ( -11.968 7.024 2.880) 14.172 2.910 ( -1.570 -1.949 -2.584) 3.598 3.854 ( -3.865 -1.629 0.686) 4.250 4.127 ( -3.285 5.140 -2.352) 6.538 4.407 ( 0.187 2.931 -2.202) 3.671 4.546 ( -2.791 5.509 -3.977) 7.345 4.863 ( -1.581 -1.994 2.021) 3.249 5.032 ( 0.875 -3.191 -2.653) 4.241 5.531 ( -5.826 0.094 2.403) 6.302 5.892 ( 4.935 9.119 -0.128) 10.369 6.838 ( 14.685 -10.778 6.115) 19.215======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -2.570 0.086 -1.854) 3.170 2.337 ( -16.847 0.872 1.518) 16.937 2.873 ( -2.038 -0.043 -0.583) 2.120 3.794 ( -3.245 -0.067 2.449) 4.066 4.101 ( -3.998 4.282 -4.296) 7.264 4.424 ( -0.551 1.955 -0.335) 2.059 4.542 ( -3.156 5.768 -1.460) 6.735 4.766 ( -7.635 -2.115 0.600) 7.946 4.993 ( -0.065 -2.437 -3.371) 4.160 5.453 ( -3.328 -2.123 3.264) 5.122 6.091 ( 8.956 7.998 -2.602) 12.286 6.987 ( 14.868 -12.516 1.456) 19.489======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -0.000 5.875 1.542) 6.074 1.606 ( 0.000 15.466 2.066) 15.603 2.516 ( 0.000 16.656 -5.070) 17.411 3.576 ( -0.000 3.620 1.178) 3.807 3.933 ( 0.000 2.438 -0.733) 2.546 4.201 ( -0.000 -0.764 5.443) 5.497 4.373 ( -0.000 10.106 2.695) 10.459 4.533 ( -0.000 0.276 2.031) 2.050 4.923 ( 0.000 -0.383 -3.886) 3.905 5.466 ( 0.000 2.230 -0.466) 2.278 6.389 ( -0.000 -20.658 -1.086) 20.687 7.686 ( 0.000 -7.113 -11.176) 13.248======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( 0.181 4.180 -1.166) 4.343 1.814 ( 7.025 14.073 1.254) 15.779 2.645 ( 1.021 12.056 -3.666) 12.643 3.659 ( 4.467 4.388 0.817) 6.315 3.943 ( -0.991 2.059 1.556) 2.764 4.258 ( 5.950 -2.268 4.640) 7.879 4.437 ( 0.026 0.875 -0.017) 0.875 4.605 ( 1.891 8.153 5.130) 9.817 4.894 ( -2.120 1.688 -5.359) 6.005 5.492 ( 0.491 2.351 -0.111) 2.405 6.191 ( 1.113 -20.260 -1.712) 20.363 7.491 ( -11.666 -3.514 -12.720) 17.613======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 1.043 3.019 -2.355) 3.968 2.095 ( 10.124 13.111 0.627) 16.577 2.763 ( 3.132 7.490 -0.959) 8.175 3.794 ( 5.984 4.705 -0.630) 7.639 3.964 ( 0.535 1.409 4.404) 4.655 4.369 ( 8.965 -4.028 1.669) 9.969 4.423 ( -0.775 -1.131 -0.094) 1.374 4.720 ( 0.382 7.278 2.871) 7.833 4.855 ( -3.406 3.780 -5.596) 7.563 5.523 ( 0.164 2.200 0.848) 2.364 6.062 ( 5.446 -15.673 -0.231) 16.594 7.168 ( -19.326 0.011 -12.337) 22.928======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 2.001 2.469 -2.133) 3.827 2.377 ( 8.298 12.488 -0.004) 14.993 2.884 ( 4.722 3.675 1.014) 6.069 3.934 ( 5.807 4.876 -1.582) 7.746 4.020 ( 2.181 1.496 5.853) 6.422 4.377 ( -0.905 -2.517 -1.719) 3.179 4.489 ( 8.952 -5.689 0.275) 10.610 4.776 ( -2.569 6.394 -0.768) 6.933 4.820 ( -2.448 4.760 -3.501) 6.396 5.538 ( -0.426 1.482 0.055) 1.543 6.081 ( 10.147 -9.713 3.585) 14.497 6.792 ( -22.117 2.610 -9.722) 24.300======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 2.236 2.237 -1.500) 3.500 2.596 ( 4.181 11.542 0.270) 12.278 2.976 ( 2.940 0.526 0.835) 3.101 4.046 ( 0.580 4.763 0.041) 4.798 4.097 ( 4.327 0.321 3.463) 5.552 4.340 ( -0.353 -0.467 -1.626) 1.728 4.552 ( 6.487 -6.141 -3.965) 9.773 4.757 ( -2.965 5.103 -1.216) 6.026 4.870 ( 1.748 4.766 -0.183) 5.080 5.555 ( 0.995 1.958 -0.401) 2.232 6.191 ( 7.294 -4.572 4.767) 9.840 6.449 ( -16.678 1.151 -4.673) 17.358======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( 1.665 1.919 -1.119) 2.776 2.738 ( -0.065 10.212 1.506) 10.322 2.982 ( -1.178 -2.522 -0.792) 2.894 4.023 ( -5.627 0.875 0.880) 5.762 4.166 ( 2.289 -0.174 0.458) 2.341 4.359 ( 1.729 2.146 -1.244) 3.023 4.587 ( 2.631 2.463 -7.039) 7.908 4.792 ( 2.397 1.647 2.761) 4.011 4.938 ( 2.804 0.919 -0.261) 2.962 5.606 ( 2.069 3.012 -0.914) 3.767 6.099 ( -16.252 5.639 0.659) 17.215 6.393 ( 11.514 -9.958 3.780) 15.685======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 0.609 1.343 -1.150) 1.870 2.774 ( -7.654 5.007 2.006) 9.364 2.912 ( -1.394 -1.841 -1.293) 2.647 3.932 ( -5.689 0.428 2.126) 6.088 4.179 ( 0.064 0.059 -2.036) 2.038 4.407 ( 1.154 2.974 -0.519) 3.232 4.626 ( -0.792 6.308 -5.450) 8.374 4.854 ( 1.894 -0.022 2.840) 3.413 4.967 ( 2.039 -2.782 -2.289) 4.140 5.632 ( -3.206 1.938 -1.265) 3.954 5.957 ( -5.329 4.854 3.425) 7.981 6.513 ( 13.140 -10.786 1.914) 17.107======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -0.866 0.814 -1.501) 1.914 2.586 ( -13.574 -3.689 0.023) 14.066 2.917 ( -1.158 3.587 1.370) 4.010 3.872 ( -4.120 1.685 3.593) 5.720 4.159 ( -1.482 -0.027 -3.319) 3.635 4.444 ( -0.055 3.199 -0.602) 3.256 4.635 ( -2.559 3.361 -1.385) 4.445 4.846 ( -3.695 -1.222 1.211) 4.075 4.951 ( 1.334 -0.895 -5.294) 5.532 5.538 ( -6.919 -0.871 1.992) 7.253 6.023 ( 5.243 2.944 1.580) 6.217 6.630 ( 13.453 -10.766 -2.623) 17.429======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 0.000 2.625 -2.536) 3.649 1.877 ( 0.000 11.744 0.253) 11.747 2.722 ( 0.000 7.990 -2.822) 8.474 3.674 ( -0.000 5.313 1.879) 5.636 3.979 ( 0.000 2.331 0.107) 2.334 4.184 ( -0.000 -6.228 8.551) 10.578 4.437 ( 0.000 -0.882 -0.321) 0.939 4.714 ( -0.000 11.859 5.640) 13.132 4.916 ( 0.000 3.307 -5.707) 6.596 5.506 ( 0.000 2.493 -1.582) 2.953 5.981 ( -0.000 -18.705 -3.182) 18.974 7.510 ( 0.000 -2.547 -13.552) 13.789======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 0.489 1.761 -2.534) 3.125 2.047 ( 7.910 9.820 -0.322) 12.614 2.782 ( 1.264 4.140 -0.558) 4.364 3.761 ( 3.321 5.221 1.204) 6.304 3.992 ( -0.445 1.308 2.947) 3.254 4.200 ( 5.897 -6.925 5.369) 10.562 4.423 ( -0.431 -1.149 0.306) 1.265 4.830 ( -1.292 10.096 3.046) 10.624 4.921 ( -1.850 4.890 -4.683) 7.019 5.533 ( 0.978 2.332 -1.231) 2.812 5.835 ( 3.380 -14.108 -2.981) 14.811 7.363 ( -9.846 -0.522 -13.080) 16.380======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( 1.554 1.728 -1.362) 2.694 2.303 ( 11.792 8.636 -1.176) 14.663 2.848 ( 3.296 1.457 1.783) 4.021 3.874 ( 4.713 3.321 0.139) 5.767 4.031 ( 1.647 2.072 5.543) 6.143 4.259 ( 7.413 -6.673 0.120) 9.975 4.406 ( -0.526 -1.260 1.942) 2.374 4.886 ( -2.076 7.561 -0.602) 7.864 4.908 ( -4.161 5.106 -2.994) 7.235 5.553 ( -0.276 0.811 -1.047) 1.353 5.830 ( 9.574 -8.031 -0.274) 12.499 7.104 ( -16.641 1.855 -10.972) 20.019======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 2.236 1.928 -0.255) 2.963 2.565 ( 10.383 7.773 -1.919) 13.111 2.924 ( 3.857 -0.741 2.777) 4.811 3.978 ( 5.941 -0.103 0.142) 5.943 4.110 ( 1.526 3.471 4.235) 5.685 4.312 ( 5.015 -2.782 -2.628) 6.308 4.403 ( 1.976 -2.714 3.749) 5.032 4.865 ( -4.602 4.259 -3.029) 6.964 4.918 ( -1.511 5.800 -0.578) 6.022 5.554 ( 0.509 0.747 -0.445) 1.008 5.957 ( 12.050 -5.585 1.184) 13.334 6.789 ( -20.039 3.408 -7.421) 21.639======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( 2.025 1.781 0.187) 2.704 2.769 ( 6.414 6.704 -1.376) 9.379 2.956 ( 0.953 -3.614 1.664) 4.091 4.057 ( 5.054 -3.089 -1.940) 6.233 4.136 ( -2.766 1.245 2.594) 3.992 4.355 ( 2.076 1.719 0.393) 2.724 4.485 ( 7.560 0.995 1.591) 7.789 4.834 ( -2.450 3.769 -1.350) 4.694 4.936 ( -0.940 2.032 -0.188) 2.247 5.590 ( 2.287 1.839 0.439) 2.967 6.105 ( 11.863 -6.078 0.299) 13.333 6.467 ( -20.237 3.317 -3.043) 20.732======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 1.143 1.261 0.000) 1.702 2.885 ( -4.239 -5.645 0.270) 7.064 2.899 ( 3.141 4.249 -0.279) 5.291 4.039 ( -3.717 -0.921 0.937) 3.942 4.123 ( 1.840 -1.657 -1.445) 2.867 4.422 ( 2.087 3.366 1.316) 4.173 4.630 ( 4.858 4.516 -1.550) 6.811 4.848 ( 0.485 2.029 2.062) 2.933 4.921 ( -0.522 -1.740 -1.351) 2.264 5.652 ( 1.999 1.852 0.067) 2.726 6.157 ( -9.122 -6.135 -0.047) 10.994 6.253 ( 4.029 0.990 0.019) 4.149======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 0.043 0.787 -0.574) 0.976 2.705 ( -8.356 -8.684 -0.469) 12.060 2.973 ( 0.515 4.440 1.066) 4.595 3.980 ( -4.432 1.812 3.413) 5.879 4.126 ( 1.638 -2.660 -2.714) 4.138 4.482 ( 0.363 3.939 -0.012) 3.955 4.678 ( -1.409 -0.054 -0.694) 1.572 4.879 ( -0.364 -0.467 2.930) 2.989 4.905 ( 1.630 1.515 -5.247) 5.699 5.646 ( -4.775 0.230 -0.678) 4.828 5.985 ( -2.007 -7.426 4.396) 8.860 6.368 ( 8.564 -0.340 -3.449) 9.239======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 0.000 1.140 -1.767) 2.103 2.054 ( 0.000 6.987 -0.522) 7.007 2.795 ( -0.000 0.905 0.805) 1.212 3.791 ( -0.000 5.184 1.650) 5.440 4.014 ( -0.000 1.090 0.318) 1.135 4.100 ( -0.000 -7.756 7.941) 11.101 4.418 ( -0.000 -0.959 1.102) 1.461 4.932 ( 0.000 6.849 -2.015) 7.139 4.988 ( 0.000 7.400 0.421) 7.412 5.536 ( 0.000 2.130 -2.579) 3.345 5.678 ( 0.000 -10.022 -3.489) 10.612 7.397 ( 0.000 0.459 -12.907) 12.915======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 0.956 1.420 -0.042) 1.712 2.184 ( 8.699 5.054 -0.990) 10.109 2.816 ( 1.887 -0.568 2.585) 3.250 3.855 ( 1.733 3.166 1.163) 3.792 4.034 ( 1.571 1.032 2.707) 3.296 4.097 ( 4.614 -6.529 3.778) 8.842 4.414 ( -0.322 -0.555 2.226) 2.317 4.964 ( -1.405 5.029 -3.003) 6.024 5.029 ( -3.286 5.841 0.147) 6.703 5.555 ( 0.220 0.682 -1.818) 1.954 5.634 ( 5.652 -4.572 -2.630) 7.731 7.294 ( -8.587 2.425 -11.423) 14.494======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 1.807 1.859 1.300) 2.901 2.408 ( 13.133 3.595 -2.169) 13.788 2.864 ( 3.271 -1.189 3.823) 5.170 3.909 ( 2.483 -0.144 1.520) 2.915 4.089 ( 3.796 -1.722 -0.535) 4.202 4.167 ( 7.216 -0.733 3.961) 8.264 4.412 ( -0.726 -0.117 3.560) 3.636 4.955 ( -3.413 2.710 -2.258) 4.908 5.014 ( -3.461 4.656 -0.847) 5.863 5.549 ( 0.256 0.025 -0.520) 0.580 5.735 ( 9.589 -1.976 -1.937) 9.981 7.091 ( -15.144 4.142 -8.737) 17.967======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 1.964 1.672 1.674) 3.075 2.642 ( 12.351 1.625 -2.926) 12.796 2.906 ( 1.940 -2.746 3.257) 4.681 3.944 ( 3.316 -2.839 -0.828) 4.443 4.132 ( 4.042 -2.572 0.446) 4.811 4.313 ( 5.587 3.324 1.900) 6.773 4.430 ( 2.157 1.097 5.751) 6.240 4.906 ( -3.335 1.765 -2.261) 4.399 4.994 ( -3.115 1.777 0.620) 3.639 5.571 ( 1.768 0.746 0.847) 2.098 5.874 ( 10.139 -2.113 -2.553) 10.666 6.821 ( -19.216 4.523 -5.226) 20.421======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( 1.466 0.982 1.304) 2.194 2.791 ( 6.347 -5.833 -1.185) 8.701 2.903 ( 0.874 -0.023 0.384) 0.954 3.962 ( 3.939 -4.005 -3.559) 6.650 4.155 ( -0.658 -0.570 2.531) 2.677 4.400 ( 3.153 2.249 1.104) 4.028 4.572 ( 7.168 3.808 4.595) 9.328 4.877 ( -1.049 1.467 -1.309) 2.228 4.943 ( -3.539 -1.575 1.853) 4.294 5.617 ( 2.926 -0.860 1.429) 3.368 5.998 ( 7.748 -1.996 -4.121) 9.000 6.526 ( -18.957 4.260 -0.647) 19.441======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( -0.000 1.906 1.733) 2.576 2.140 ( 0.000 2.473 -0.549) 2.533 2.802 ( -0.000 -0.701 3.728) 3.794 3.872 ( -0.000 1.941 0.602) 2.032 4.021 ( -0.000 -5.236 5.833) 7.838 4.023 ( -0.000 -0.331 0.274) 0.430 4.422 ( -0.000 -0.069 2.860) 2.861 5.011 ( 0.000 3.849 -1.956) 4.317 5.099 ( 0.000 2.736 -0.870) 2.871 5.551 ( 0.000 1.583 -3.087) 3.469 5.552 ( 0.000 -1.572 -1.783) 2.377 7.357 ( 0.000 4.158 -10.795) 11.568======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( 0.815 2.346 2.904) 3.821 2.229 ( 8.914 0.396 -1.087) 8.989 2.830 ( 1.689 0.063 4.645) 4.943 3.893 ( 1.004 0.029 1.809) 2.069 3.986 ( 1.363 -5.264 -0.449) 5.456 4.086 ( 5.829 0.645 3.872) 7.028 4.433 ( -0.207 0.332 3.485) 3.507 5.013 ( -2.128 0.813 -1.606) 2.788 5.089 ( -2.112 1.159 -0.984) 2.602 5.544 ( 0.058 0.571 -1.423) 1.535 5.604 ( 5.143 2.035 -2.437) 6.044 7.302 ( -8.134 5.837 -9.194) 13.593======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( 1.174 1.711 2.968) 3.621 2.406 ( 13.257 -2.398 -2.314) 13.670 2.874 ( 1.380 -0.585 4.143) 4.405 3.897 ( -0.336 -2.168 0.498) 2.250 4.002 ( 6.624 -3.995 0.313) 7.742 4.238 ( 8.423 2.730 3.388) 9.480 4.445 ( -0.293 0.428 4.090) 4.123 4.952 ( -2.879 -1.978 -2.461) 4.273 5.056 ( -2.731 -0.191 1.410) 3.080 5.550 ( 0.887 -0.193 -1.420) 1.685 5.730 ( 7.107 4.149 -1.530) 8.370 7.139 ( -15.042 6.292 -6.847) 17.684======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 1.256 0.472 2.340) 2.698 2.566 ( 11.570 -7.671 -2.315) 14.073 2.887 ( 0.470 -1.032 1.726) 2.065 3.871 ( 1.401 -3.304 -2.444) 4.341 4.098 ( 6.282 -1.662 3.022) 7.166 4.389 ( 3.026 2.553 1.454) 4.217 4.499 ( 6.115 1.684 4.828) 7.971 4.885 ( -1.088 -2.948 -1.989) 3.719 5.000 ( -3.706 -1.829 3.263) 5.266 5.553 ( 1.922 -3.260 -1.710) 4.153 5.895 ( 6.375 6.675 -0.744) 9.260 6.888 ( -19.270 5.590 -3.437) 20.357======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( -0.000 2.623 3.847) 4.656 2.141 ( 0.000 -2.070 -0.517) 2.134 2.844 ( -0.000 1.707 5.309) 5.576 3.863 ( -0.000 -3.207 0.455) 3.239 3.982 ( -0.000 -2.537 4.464) 5.135 4.013 ( 0.000 -0.597 -0.345) 0.690 4.451 ( -0.000 0.561 3.446) 3.491 5.012 ( 0.000 -4.014 -2.719) 4.848 5.104 ( -0.000 -0.335 0.399) 0.521 5.554 ( 0.000 0.909 -2.937) 3.075 5.586 ( 0.000 6.267 -0.659) 6.302 7.402 ( 0.000 7.461 -8.938) 11.643======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 0.028 1.294 3.638) 3.861 2.180 ( 8.284 -4.905 -1.165) 9.698 2.882 ( 0.033 1.240 4.891) 5.046 3.863 ( 3.874 -5.476 0.220) 6.711 3.915 ( -2.533 -0.701 2.177) 3.413 4.118 ( 8.681 0.593 2.064) 8.943 4.466 ( -0.222 0.367 3.306) 3.333 4.930 ( -1.053 -7.626 -3.152) 8.319 5.090 ( -1.478 -1.173 1.884) 2.666 5.540 ( -0.875 0.064 -2.990) 3.117 5.704 ( 4.219 9.677 0.335) 10.562 7.378 ( -8.357 7.947 -8.060) 14.070======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( 0.463 -0.851 2.777) 2.941 2.279 ( 11.491 -9.226 -2.100) 14.885 2.888 ( -0.914 -1.146 2.979) 3.320 3.824 ( -0.182 -4.139 -1.718) 4.485 3.980 ( 6.909 -0.696 4.339) 8.188 4.301 ( 10.136 2.108 1.548) 10.468 4.474 ( 0.147 -0.103 3.050) 3.055 4.833 ( 0.087 -8.418 -1.967) 8.646 5.046 ( -2.762 -2.058 2.674) 4.361 5.504 ( -0.816 -2.109 -3.445) 4.120 5.894 ( 5.226 11.977 1.988) 13.218 7.225 ( -15.469 7.193 -6.097) 18.117======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -0.000 -0.656 3.405) 3.468 2.047 ( -0.000 -7.489 -0.805) 7.532 2.915 ( -0.000 0.797 4.796) 4.861 3.777 ( -0.000 -5.787 1.268) 5.924 3.992 ( -0.000 0.596 3.843) 3.889 3.995 ( 0.000 -0.854 -0.607) 1.048 4.481 ( -0.000 0.087 2.723) 2.725 4.833 ( 0.000 -11.038 -2.906) 11.414 5.095 ( -0.000 -1.895 1.907) 2.688 5.545 ( 0.000 -0.032 -2.186) 2.186 5.779 ( 0.000 13.521 0.564) 13.533 7.499 ( 0.000 8.604 -8.891) 12.372======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( -0.266 -3.627 2.543) 4.437 2.020 ( 6.986 -10.957 -1.373) 13.067 2.907 ( -1.719 -2.851 3.285) 4.677 3.755 ( 2.537 -5.576 0.475) 6.144 3.933 ( -0.475 0.152 2.834) 2.877 4.147 ( 10.227 1.417 1.333) 10.410 4.484 ( -0.364 -0.535 2.130) 2.226 4.721 ( 0.654 -11.083 -1.271) 11.175 5.067 ( -1.428 -2.529 1.815) 3.425 5.513 ( -2.342 -0.712 -2.231) 3.312 5.957 ( 3.648 15.414 1.953) 15.959 7.476 ( -8.618 8.066 -8.758) 14.698======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( -0.000 -7.241 1.908) 7.488 1.840 ( -0.000 -13.447 -1.112) 13.493 2.885 ( -0.000 -7.846 1.963) 8.088 3.678 ( -0.000 -5.390 1.990) 5.746 3.977 ( -0.000 -0.648 0.088) 0.654 4.046 ( -0.000 2.000 2.520) 3.217 4.487 ( -0.000 -1.138 1.647) 2.002 4.613 ( -0.000 -9.570 1.186) 9.643 5.057 ( -0.000 -3.009 0.908) 3.143 5.524 ( 0.000 -0.920 -0.895) 1.283 6.092 ( 0.000 17.901 1.822) 17.993 7.591 ( 0.000 7.987 -10.833) 13.459======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( -0.000 -0.000 15.773) 15.773 0.575 ( -0.000 -0.000 15.773) 15.773 1.015 ( -0.000 -0.000 29.400) 29.400 3.492 ( 0.000 -0.000 -0.360) 0.360 3.492 ( 0.000 -0.000 -0.360) 0.360 3.907 ( 0.000 0.000 -3.731) 3.731 3.907 ( 0.000 0.000 -3.731) 3.731 4.842 ( 0.000 0.000 -9.125) 9.125 5.495 ( -0.000 -0.000 2.925) 2.925 5.495 ( -0.000 -0.000 2.925) 2.925 6.035 ( -0.000 -0.000 2.860) 2.860 9.303 ( -0.000 -0.000 0.918) 0.918======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 8.977 5.183 15.261) 18.448 0.743 ( 8.547 4.935 12.418) 15.862 1.243 ( 11.759 6.789 18.930) 23.296 3.517 ( 1.634 0.944 -0.464) 1.943 3.617 ( 9.455 5.459 -3.682) 11.522 3.894 ( 0.147 0.085 -3.300) 3.304 3.994 ( 9.397 5.426 -3.415) 11.376 4.779 ( -2.640 -1.524 -7.453) 8.053 5.219 ( -12.463 -7.196 9.055) 17.003 5.554 ( 1.700 0.981 2.799) 3.419 6.400 ( 18.966 10.950 -10.042) 24.092 8.902 ( -30.881 -17.829 11.451) 37.452======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 8.598 4.964 12.602) 16.043 1.009 ( 11.870 6.853 8.088) 15.915 1.630 ( 18.677 10.783 5.182) 22.180 3.562 ( 2.573 1.486 -0.376) 2.995 3.824 ( 10.176 5.875 -1.317) 11.824 3.892 ( 0.642 0.371 -2.752) 2.850 4.263 ( 14.447 8.341 -2.851) 16.924 4.697 ( -2.573 -1.485 -2.803) 4.085 5.044 ( -6.968 -4.023 4.953) 9.448 5.580 ( -0.141 -0.082 1.443) 1.453 6.654 ( 7.966 4.599 -12.911) 15.852 8.201 ( -35.113 -20.273 12.332) 42.379======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 8.110 4.682 5.591) 10.906 1.307 ( 12.830 7.407 4.635) 15.523 2.071 ( 19.999 11.546 -0.676) 23.102 3.628 ( 3.464 2.000 -0.144) 4.002 3.904 ( 1.255 0.725 -2.117) 2.566 4.054 ( 10.048 5.801 2.652) 11.902 4.513 ( 5.820 3.360 -4.880) 8.305 4.714 ( 7.077 4.086 4.057) 9.123 4.911 ( -6.193 -3.576 0.256) 7.156 5.558 ( -1.971 -1.138 -0.162) 2.282 6.691 ( 0.176 0.102 -12.672) 12.674 7.461 ( -34.661 -20.011 7.548) 40.728======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 7.540 4.353 -0.415) 8.716 1.595 ( 11.943 6.895 2.316) 13.984 2.483 ( 17.269 9.970 -2.129) 20.054 3.711 ( 3.947 2.279 -0.175) 4.561 3.933 ( 1.816 1.049 -1.151) 2.393 4.270 ( 8.113 4.684 5.045) 10.640 4.544 ( 0.552 0.319 -0.455) 0.783 4.769 ( -5.856 -3.381 -3.783) 7.749 4.959 ( 10.813 6.243 2.110) 12.663 5.500 ( -2.783 -1.607 -0.904) 3.338 6.553 ( -13.608 -7.857 -15.756) 22.252 6.807 ( -20.232 -11.681 8.830) 24.975======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 5.925 3.421 -3.445) 7.660 1.841 ( 9.619 5.553 1.133) 11.164 2.797 ( 11.603 6.699 -2.936) 13.716 3.794 ( 3.601 2.079 -0.706) 4.218 3.974 ( 1.970 1.137 0.073) 2.276 4.439 ( 5.334 3.079 3.292) 6.984 4.533 ( -3.735 -2.156 4.208) 6.026 4.672 ( 0.994 0.574 -6.296) 6.399 5.153 ( 6.249 3.608 -2.118) 7.521 5.441 ( -2.146 -1.239 -0.151) 2.483 6.000 ( -24.240 -13.995 -8.081) 29.133 6.681 ( -0.468 -0.270 5.953) 5.977======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( 3.900 2.252 -4.147) 6.122 2.021 ( 6.279 3.625 0.709) 7.284 2.966 ( 5.031 2.904 -5.021) 7.678 3.860 ( 2.591 1.496 -1.077) 3.180 4.012 ( 1.086 0.627 0.768) 1.470 4.387 ( -6.266 -3.618 -4.067) 8.300 4.542 ( 1.280 0.739 1.744) 2.286 4.779 ( 8.145 4.703 0.144) 9.406 5.192 ( -2.222 -1.283 -6.495) 6.983 5.414 ( -0.489 -0.283 1.739) 1.829 5.575 ( -10.911 -6.300 -0.503) 12.609 6.753 ( 4.086 2.359 10.324) 11.351======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 2.642 1.525 -3.727) 4.816 2.119 ( 2.360 1.362 0.619) 2.794 3.002 ( 0.869 0.502 -7.450) 7.517 3.898 ( 1.015 0.586 -1.082) 1.595 4.019 ( -0.633 -0.366 0.791) 1.077 4.236 ( -5.389 -3.111 -6.547) 9.032 4.546 ( -0.339 -0.195 -2.462) 2.493 4.978 ( 8.684 5.014 0.482) 10.039 5.063 ( -5.714 -3.299 -1.184) 6.703 5.431 ( 1.102 0.636 3.524) 3.747 5.484 ( -0.291 -0.168 2.447) 2.470 6.919 ( 6.930 4.001 13.696) 15.862======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 1.945 1.123 -2.928) 3.691 2.127 ( -1.869 -1.079 0.733) 2.280 2.983 ( 0.231 0.133 -7.332) 7.337 3.883 ( -2.247 -1.297 -1.516) 3.005 4.000 ( -0.936 -0.540 0.866) 1.385 4.114 ( -3.247 -1.875 -7.607) 8.481 4.526 ( -0.364 -0.210 -3.141) 3.169 4.947 ( -5.560 -3.210 2.920) 7.053 5.118 ( 2.899 1.674 -1.134) 3.535 5.477 ( 1.602 0.925 4.026) 4.431 5.553 ( 6.426 3.710 2.508) 7.833 7.142 ( 8.413 4.857 14.882) 17.772======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -0.928 -0.536 -2.297) 2.535 2.038 ( -6.598 -3.809 0.936) 7.676 2.964 ( -0.528 -0.305 -4.553) 4.594 3.794 ( -4.821 -2.783 -1.956) 5.900 3.988 ( -0.530 -0.306 0.601) 0.858 4.046 ( -0.566 -0.327 -6.396) 6.429 4.508 ( -0.458 -0.264 -2.414) 2.471 4.805 ( -8.354 -4.823 2.286) 9.913 5.113 ( -1.801 -1.040 -1.667) 2.666 5.518 ( 0.744 0.430 2.944) 3.067 5.779 ( 12.738 7.354 0.572) 14.720 7.379 ( 8.259 4.769 13.752) 16.735======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( -0.000 7.623 12.073) 14.278 0.833 ( -0.000 11.705 15.018) 19.041 1.324 ( -0.000 12.793 18.160) 22.214 3.481 ( 0.000 0.042 -0.197) 0.201 3.635 ( 0.000 12.142 -3.368) 12.601 3.884 ( 0.000 0.299 -3.886) 3.897 3.942 ( 0.000 5.355 -2.190) 5.785 4.750 ( 0.000 -2.720 -8.159) 8.601 5.286 ( -0.000 -15.360 9.250) 17.930 5.460 ( -0.000 -2.550 2.611) 3.650 6.425 ( 0.000 24.390 -7.564) 25.536 8.965 ( -0.000 -29.832 8.305) 30.966======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( 7.988 9.525 9.553) 15.677 1.027 ( 3.413 10.277 14.209) 17.866 1.570 ( 7.113 16.708 6.874) 19.416 3.519 ( 3.474 0.610 -0.271) 3.537 3.760 ( 3.246 8.752 -1.983) 9.543 3.897 ( 1.148 3.536 -3.210) 4.912 4.096 ( 11.817 6.844 -1.973) 13.797 4.687 ( -0.895 -3.005 -5.546) 6.371 5.121 ( -6.081 -8.145 6.394) 12.008 5.506 ( 4.934 -4.413 2.023) 6.922 6.621 ( 2.521 13.907 -9.005) 16.759 8.504 ( -22.132 -28.353 9.179) 37.121======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 5.014 7.290 9.294) 12.832 1.247 ( 8.132 11.505 6.452) 15.496 1.918 ( 13.603 16.900 -0.693) 21.706 3.591 ( 3.621 2.203 -0.432) 4.260 3.861 ( 3.337 0.671 -0.976) 3.541 4.003 ( 5.285 9.369 0.348) 10.762 4.380 ( 13.186 6.024 -3.685) 14.958 4.651 ( 2.340 -1.757 -0.598) 2.987 4.977 ( -5.899 -5.311 2.039) 8.195 5.527 ( 1.921 -4.234 0.820) 4.721 6.689 ( -1.119 4.752 -8.574) 9.867 7.832 ( -30.680 -23.814 5.894) 39.282======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 4.524 5.753 3.006) 7.912 1.529 ( 8.955 12.551 3.331) 15.774 2.309 ( 15.673 13.790 -2.248) 20.997 3.676 ( 3.540 3.403 -0.572) 4.943 3.906 ( 2.244 1.079 -1.126) 2.733 4.206 ( 7.717 6.970 3.818) 11.077 4.516 ( 2.602 0.947 -3.428) 4.407 4.798 ( 12.196 1.298 0.923) 12.300 4.831 ( -5.743 -3.651 -1.892) 7.063 5.501 ( -0.681 -3.200 0.567) 3.320 6.637 ( -4.665 1.238 -8.203) 9.517 7.115 ( -31.073 -19.786 3.603) 37.014======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 4.816 4.616 -1.565) 6.853 1.792 ( 7.284 11.908 1.884) 14.086 2.657 ( 13.094 9.481 -2.385) 16.341 3.765 ( 3.155 3.918 -0.989) 5.127 3.954 ( 2.196 1.815 -0.297) 2.865 4.393 ( 5.983 4.454 3.520) 8.248 4.550 ( 1.638 -0.390 2.617) 3.112 4.682 ( -5.257 -1.672 -5.942) 8.108 5.001 ( 10.680 -1.692 -4.084) 11.559 5.461 ( -1.611 -1.145 1.679) 2.593 6.343 ( -29.120 -3.798 -10.503) 31.188 6.681 ( -1.667 -8.812 8.873) 12.616======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 3.986 3.242 -3.440) 6.183 2.003 ( 4.525 10.398 1.324) 11.417 2.886 ( 7.217 5.061 -3.620) 9.529 3.844 ( 2.204 3.909 -1.369) 4.692 4.006 ( 1.490 2.073 0.529) 2.607 4.436 ( -3.974 -2.733 -3.351) 5.873 4.550 ( -0.753 1.017 2.639) 2.927 4.697 ( 6.588 4.391 -1.151) 8.001 5.078 ( 5.887 -6.747 -6.538) 11.087 5.450 ( -0.810 1.627 2.625) 3.193 5.833 ( -23.433 -0.281 -4.560) 23.874 6.708 ( 5.444 -3.308 11.026) 12.734======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( 2.827 2.174 -3.733) 5.163 2.144 ( 0.901 8.553 1.223) 8.687 2.970 ( 1.475 1.899 -5.950) 6.417 3.901 ( 0.910 3.548 -1.302) 3.887 4.032 ( -0.789 0.825 0.650) 1.314 4.298 ( -6.392 -1.380 -5.854) 8.777 4.545 ( -0.830 0.226 -2.887) 3.012 4.880 ( 8.786 4.707 1.222) 10.042 5.047 ( 1.236 -6.667 -2.466) 7.215 5.481 ( 0.304 3.479 2.735) 4.436 5.564 ( -10.654 3.048 0.902) 11.118 6.848 ( 8.721 -1.604 13.554) 16.197======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 2.259 1.584 -3.406) 4.384 2.202 ( -3.307 6.643 1.326) 7.538 2.959 ( -0.484 0.565 -7.103) 7.142 3.928 ( -1.431 3.392 -1.406) 3.941 3.989 ( -2.564 -3.413 -0.474) 4.295 4.189 ( -5.229 3.717 -5.836) 8.673 4.520 ( -0.553 -0.105 -3.960) 3.999 4.981 ( -0.844 -3.712 1.056) 3.951 5.064 ( 5.385 1.991 1.047) 5.836 5.493 ( -2.281 1.105 3.149) 4.042 5.549 ( 1.778 6.216 2.559) 6.953 7.048 ( 10.909 -1.182 13.930) 17.732======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 1.022 0.344 -2.953) 3.143 2.166 ( -8.046 4.146 1.416) 9.161 2.937 ( 0.434 -0.387 -5.552) 5.583 3.867 ( -6.054 -0.889 -0.696) 6.158 3.944 ( 0.341 -1.030 -2.960) 3.153 4.146 ( -4.759 7.425 -3.529) 9.499 4.501 ( -0.146 -0.225 -3.192) 3.203 4.896 ( -6.017 -4.288 3.198) 8.051 5.109 ( 0.139 -1.364 -1.854) 2.306 5.504 ( 0.904 -0.772 3.806) 3.987 5.703 ( 7.185 9.601 0.539) 12.004 7.271 ( 11.800 -1.847 12.202) 17.075======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( -0.000 12.740 7.731) 14.902 1.151 ( -0.000 9.453 14.651) 17.436 1.716 ( 0.000 20.339 2.402) 20.480 3.492 ( -0.000 1.021 0.298) 1.063 3.866 ( 0.000 13.836 -2.249) 14.017 3.870 ( 0.000 0.990 -3.131) 3.284 4.058 ( 0.000 6.681 1.019) 6.759 4.643 ( 0.000 -3.312 -5.000) 5.997 5.106 ( -0.000 -9.570 5.379) 10.978 5.440 ( -0.000 -1.286 2.225) 2.570 6.701 ( 0.000 9.488 -6.788) 11.666 8.423 ( -0.000 -30.442 4.692) 30.801======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 5.699 12.989 6.504) 15.604 1.289 ( 1.961 7.800 10.165) 12.962 1.952 ( 4.368 21.237 -2.586) 21.835 3.543 ( 3.985 1.818 0.244) 4.387 3.850 ( -0.693 2.671 -0.861) 2.890 4.034 ( 2.982 10.812 -0.712) 11.238 4.219 ( 10.661 6.496 0.555) 12.497 4.601 ( 0.523 -2.756 -2.252) 3.597 5.007 ( -3.551 -6.723 1.976) 7.856 5.461 ( 2.259 -1.625 1.850) 3.342 6.721 ( -1.272 0.802 -5.057) 5.276 8.009 ( -16.999 -25.530 0.102) 30.672======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 1.047 6.117 4.742) 7.810 1.530 ( 8.761 14.181 3.920) 17.123 2.243 ( 8.955 18.059 -3.350) 20.434 3.642 ( 4.637 3.289 -0.432) 5.702 3.881 ( 1.592 1.901 0.024) 2.480 4.189 ( 4.583 8.610 2.407) 10.046 4.442 ( 7.564 3.290 -3.392) 8.919 4.628 ( 6.925 -1.018 1.796) 7.226 4.881 ( -5.140 -4.492 -1.619) 7.016 5.480 ( 0.907 -1.338 2.131) 2.674 6.652 ( -1.671 -5.880 -2.380) 6.560 7.424 ( -26.485 -17.686 -4.543) 32.170======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 2.303 4.992 0.038) 5.498 1.816 ( 7.198 14.944 2.528) 16.779 2.551 ( 10.863 12.821 -2.240) 16.953 3.748 ( 3.837 4.567 -1.227) 6.090 3.934 ( 2.327 2.059 0.613) 3.167 4.358 ( 5.400 5.984 3.072) 8.626 4.514 ( 2.828 0.052 -0.167) 2.833 4.737 ( -3.817 -1.975 -5.040) 6.623 4.791 ( 8.293 -2.122 -1.889) 8.766 5.484 ( -0.614 -0.030 3.038) 3.100 6.574 ( 1.445 -8.142 2.321) 8.589 6.801 ( -29.805 -9.136 -7.263) 32.009======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( 2.957 3.885 -2.216) 5.361 2.061 ( 4.331 14.490 1.918) 15.244 2.806 ( 8.338 7.738 -2.043) 11.557 3.844 ( 2.671 5.165 -1.753) 6.073 4.001 ( 2.424 2.771 1.324) 3.912 4.438 ( -0.265 -1.595 -1.135) 1.976 4.589 ( 1.594 1.851 5.542) 6.057 4.652 ( 0.301 3.739 -7.185) 8.105 4.877 ( 7.320 -6.287 -4.781) 10.769 5.486 ( -0.826 1.175 2.797) 3.144 6.249 ( -27.465 -0.038 -7.165) 28.385 6.584 ( 6.809 -7.924 8.735) 13.618======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 2.581 2.903 -2.890) 4.842 2.245 ( 0.902 13.319 2.032) 13.503 2.945 ( 2.931 3.805 -3.461) 5.920 3.918 ( 1.153 4.668 -1.732) 5.111 4.063 ( 0.377 3.098 1.556) 3.488 4.357 ( -4.265 -1.968 -4.339) 6.394 4.566 ( -2.787 1.210 -4.422) 5.365 4.791 ( 7.674 4.355 1.155) 8.899 4.908 ( 6.032 -6.210 -1.630) 8.810 5.505 ( 0.379 1.999 1.852) 2.751 5.866 ( -19.513 5.414 -2.640) 20.421 6.696 ( 10.188 -6.622 11.911) 17.016======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 1.929 2.305 -2.941) 4.205 2.357 ( -3.114 11.923 2.472) 12.569 2.963 ( -1.264 1.374 -5.124) 5.454 3.949 ( -0.529 1.462 -2.138) 2.644 4.059 ( -4.470 2.319 1.391) 5.224 4.280 ( -3.139 3.893 -5.747) 7.618 4.517 ( -1.323 0.063 -5.406) 5.566 4.917 ( 4.388 -2.743 0.705) 5.222 4.985 ( 6.626 1.140 1.765) 6.951 5.540 ( 0.116 2.114 0.434) 2.161 5.684 ( -9.576 7.108 2.484) 12.182 6.863 ( 12.233 -6.601 12.094) 18.425======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 1.209 1.527 -2.867) 3.466 2.379 ( -8.160 9.745 2.695) 12.993 2.922 ( -1.426 -0.239 -5.005) 5.210 3.904 ( -2.663 -3.266 -0.914) 4.312 4.012 ( -5.014 5.337 -1.400) 7.456 4.276 ( -2.830 7.912 -3.948) 9.284 4.489 ( -0.285 0.117 -4.284) 4.295 4.925 ( -0.557 -3.445 2.579) 4.340 5.070 ( 2.333 -1.324 -1.250) 2.959 5.530 ( -2.539 0.781 2.428) 3.599 5.715 ( 2.077 8.923 1.424) 9.271 7.050 ( 13.646 -7.731 9.993) 18.597======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( -0.000 15.037 4.261) 15.629 1.372 ( -0.000 5.232 8.363) 9.865 2.118 ( 0.000 21.978 -4.755) 22.487 3.526 ( -0.000 2.179 1.001) 2.398 3.883 ( 0.000 2.178 -1.649) 2.731 4.118 ( 0.000 11.958 0.270) 11.961 4.202 ( -0.000 6.709 5.112) 8.435 4.567 ( 0.000 -2.182 -1.089) 2.439 4.978 ( -0.000 -6.110 0.278) 6.116 5.443 ( -0.000 0.232 1.367) 1.387 6.686 ( 0.000 -7.833 -2.779) 8.311 7.908 ( 0.000 -21.647 -6.128) 22.498======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( -0.381 4.514 3.522) 5.738 1.540 ( 7.058 14.565 2.965) 16.455 2.322 ( 2.553 19.486 -4.458) 20.152 3.592 ( 4.167 3.031 0.799) 5.214 3.897 ( -0.271 2.775 0.086) 2.790 4.225 ( 1.938 7.154 2.334) 7.771 4.356 ( 6.031 6.696 2.479) 9.346 4.563 ( 1.745 -0.598 2.187) 2.861 4.900 ( -2.837 -4.028 -2.525) 5.536 5.464 ( 1.239 0.540 1.335) 1.900 6.560 ( -0.342 -15.430 -0.783) 15.454 7.586 ( -13.874 -13.557 -11.009) 22.304======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 0.537 3.909 -0.118) 3.947 1.830 ( 9.246 14.658 1.958) 17.441 2.541 ( 5.404 14.761 -2.390) 15.900 3.708 ( 5.242 4.016 -0.470) 6.620 3.933 ( 0.995 2.739 1.864) 3.460 4.350 ( 4.328 5.727 2.821) 7.712 4.457 ( 2.794 -0.688 -0.521) 2.925 4.649 ( 5.024 1.912 3.185) 6.248 4.800 ( -4.271 -1.026 -4.976) 6.638 5.496 ( 0.832 0.923 2.162) 2.494 6.411 ( 2.666 -18.316 2.533) 18.682 7.147 ( -22.457 -4.624 -13.491) 26.602======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 1.786 3.528 -1.594) 4.263 2.117 ( 7.313 14.622 1.276) 16.399 2.757 ( 6.752 9.554 -0.761) 11.723 3.830 ( 4.489 5.130 -1.564) 6.994 3.995 ( 2.163 2.812 3.050) 4.679 4.424 ( -0.419 -1.445 -0.098) 1.508 4.534 ( 7.837 1.289 2.100) 8.216 4.703 ( -2.926 2.108 -4.984) 6.152 4.740 ( 1.549 -0.236 -1.204) 1.976 5.516 ( -0.439 0.958 1.764) 2.054 6.346 ( 6.926 -15.927 7.216) 18.807 6.697 ( -23.819 2.763 -12.338) 26.967======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.588 ( 2.226 3.095 -1.866) 4.244 2.352 ( 3.791 14.081 1.429) 14.652 2.920 ( 4.315 5.163 -0.976) 6.799 3.938 ( 2.330 5.914 -1.365) 6.502 4.074 ( 2.632 3.024 2.655) 4.809 4.370 ( -2.039 -3.073 -1.671) 4.049 4.627 ( -3.909 -0.085 -8.058) 8.957 4.690 ( 7.315 0.659 2.732) 7.836 4.786 ( 3.731 1.878 0.292) 4.187 5.523 ( -0.061 1.264 0.784) 1.488 6.232 ( -16.949 1.629 -2.965) 17.283 6.492 ( 6.278 -6.940 5.237) 10.724======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 1.830 2.744 -1.877) 3.795 2.519 ( -0.096 13.087 2.306) 13.289 2.981 ( -0.272 1.876 -2.456) 3.102 3.987 ( -1.926 3.289 -0.729) 3.880 4.139 ( -0.117 3.087 1.641) 3.498 4.318 ( -0.983 0.985 -3.243) 3.529 4.533 ( -2.919 0.353 -7.976) 8.501 4.805 ( 6.380 -1.884 2.509) 7.109 4.899 ( 5.788 2.786 1.045) 6.508 5.550 ( 1.036 2.246 -0.045) 2.474 5.977 ( -16.244 6.904 -0.871) 17.672 6.610 ( 12.653 -10.136 8.917) 18.503======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 1.051 2.254 -2.033) 3.212 2.609 ( -4.927 11.559 3.236) 12.975 2.942 ( -3.050 -0.688 -3.528) 4.713 3.939 ( -4.277 -0.401 0.118) 4.297 4.135 ( -3.857 3.664 -0.013) 5.320 4.340 ( 0.882 4.597 -3.218) 5.680 4.495 ( -1.062 3.156 -6.519) 7.320 4.880 ( 3.398 -1.849 2.568) 4.643 5.000 ( 4.161 -0.860 -0.525) 4.281 5.581 ( -0.681 2.469 -1.051) 2.769 5.844 ( -7.642 7.360 3.005) 11.027 6.756 ( 13.851 -11.715 7.189) 19.514======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( -0.000 2.905 0.614) 2.969 1.625 ( 0.000 14.398 1.538) 14.480 2.467 ( 0.000 17.187 -4.090) 17.667 3.593 ( -0.000 3.823 2.020) 4.324 3.927 ( 0.000 2.914 -0.457) 2.950 4.260 ( -0.000 1.884 5.757) 6.057 4.402 ( -0.000 6.939 2.386) 7.338 4.570 ( -0.000 3.460 5.336) 6.359 4.880 ( 0.000 -2.273 -4.275) 4.842 5.464 ( 0.000 1.336 -0.072) 1.337 6.378 ( -0.000 -21.348 -1.096) 21.377 7.547 ( 0.000 -8.456 -14.947) 17.173======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 0.126 2.588 -1.462) 2.975 1.824 ( 7.219 13.204 0.637) 15.062 2.614 ( 1.670 13.066 -2.021) 13.327 3.672 ( 3.534 4.460 1.634) 5.921 3.956 ( 0.363 2.858 0.924) 3.026 4.317 ( 3.704 -0.937 6.588) 7.615 4.437 ( -0.076 0.140 0.002) 0.159 4.668 ( 0.948 7.941 6.979) 10.614 4.834 ( -2.225 0.936 -6.128) 6.587 5.491 ( 1.493 1.585 -0.039) 2.178 6.177 ( 2.125 -21.594 -0.746) 21.711 7.338 ( -11.248 -3.273 -16.233) 20.019======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 1.115 2.702 -1.585) 3.325 2.098 ( 10.297 12.272 -0.144) 16.020 2.759 ( 3.685 8.604 0.241) 9.364 3.792 ( 4.892 4.739 0.369) 6.821 4.004 ( 1.437 2.725 2.923) 4.246 4.392 ( 4.644 -5.872 2.468) 7.883 4.432 ( 1.301 0.343 2.317) 2.679 4.750 ( -1.144 5.712 2.719) 6.429 4.795 ( -3.319 4.728 -5.658) 8.086 5.528 ( 0.687 1.217 0.060) 1.399 6.072 ( 7.975 -16.925 2.252) 18.845 7.025 ( -18.165 1.259 -14.824) 23.480======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 1.936 2.811 -0.915) 3.534 2.374 ( 8.855 11.595 -0.579) 14.601 2.896 ( 4.380 4.708 1.216) 6.544 3.924 ( 5.340 5.056 -0.383) 7.364 4.071 ( 1.913 2.563 3.638) 4.844 4.362 ( -0.592 -3.439 -1.001) 3.631 4.504 ( 6.013 -5.156 2.832) 8.412 4.757 ( -4.897 5.343 -2.874) 7.797 4.795 ( 0.247 5.920 -1.127) 6.031 5.535 ( -0.187 0.753 -0.434) 0.889 6.127 ( 12.172 -11.379 5.127) 17.433 6.685 ( -19.845 4.074 -10.662) 22.893======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 1.940 2.766 -0.544) 3.422 2.598 ( 5.338 10.725 0.102) 11.980 2.982 ( 1.708 1.367 0.289) 2.207 4.045 ( 2.140 4.780 -0.104) 5.238 4.125 ( 1.663 0.445 1.484) 2.273 4.331 ( -0.343 0.184 -0.257) 0.467 4.519 ( 1.522 -3.941 -1.980) 4.665 4.750 ( 0.242 3.879 -0.271) 3.896 4.868 ( 2.230 4.524 -0.090) 5.045 5.552 ( 1.021 1.822 -0.156) 2.095 6.230 ( 3.528 -3.521 2.370) 5.519 6.410 ( -8.921 -1.268 -2.336) 9.309======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 1.215 2.421 -0.732) 2.806 2.753 ( 1.258 9.569 1.496) 9.767 2.971 ( -2.497 -1.836 -1.297) 3.360 4.037 ( -5.677 1.749 1.731) 6.187 4.159 ( 2.316 -1.630 -1.659) 3.282 4.355 ( 0.576 3.531 0.196) 3.582 4.521 ( 0.595 4.574 -5.157) 6.919 4.817 ( 3.702 0.992 2.000) 4.323 4.935 ( 2.543 0.398 -0.103) 2.576 5.597 ( 1.269 3.012 -0.769) 3.358 6.104 ( -14.057 6.391 0.349) 15.446 6.432 ( 12.768 -12.937 3.599) 18.530======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 0.000 2.053 -2.174) 2.991 1.877 ( 0.000 11.233 -0.201) 11.235 2.704 ( 0.000 9.219 -0.523) 9.234 3.697 ( -0.000 5.150 2.574) 5.757 3.979 ( 0.000 2.546 0.042) 2.546 4.280 ( -0.000 -5.994 9.740) 11.436 4.437 ( -0.000 -0.426 0.408) 0.590 4.781 ( -0.000 9.208 6.916) 11.516 4.853 ( 0.000 4.435 -5.955) 7.425 5.488 ( 0.000 1.792 -1.789) 2.532 5.949 ( -0.000 -19.747 -2.856) 19.952 7.348 ( 0.000 -1.378 -17.245) 17.300======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( 0.701 2.188 -1.243) 2.612 2.041 ( 7.778 9.434 -0.811) 12.254 2.787 ( 1.590 5.288 1.474) 5.716 3.778 ( 2.634 4.926 1.944) 5.915 4.012 ( 1.247 2.140 1.073) 2.699 4.269 ( 3.179 -8.382 7.440) 11.650 4.436 ( -0.147 -0.474 2.314) 2.366 4.837 ( -1.511 5.852 -3.606) 7.038 4.898 ( -2.732 8.080 2.038) 8.770 5.518 ( 1.757 1.789 -1.768) 3.068 5.808 ( 4.768 -14.676 -2.066) 15.569 7.208 ( -9.142 1.235 -16.268) 18.701======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 1.588 2.501 0.210) 2.970 2.287 ( 11.585 8.115 -1.768) 14.255 2.873 ( 3.381 2.425 2.976) 5.116 3.882 ( 4.121 3.508 1.244) 5.553 4.072 ( 2.565 2.305 2.061) 4.017 4.273 ( 4.264 -7.241 2.777) 8.850 4.442 ( 0.404 -1.393 4.793) 5.008 4.856 ( -1.801 6.316 -3.921) 7.650 4.898 ( -5.057 6.230 -0.001) 8.024 5.539 ( 0.137 0.709 -1.474) 1.642 5.832 ( 11.524 -9.206 0.617) 14.763 6.976 ( -15.117 3.809 -13.248) 20.458======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 1.932 2.599 0.925) 3.368 2.543 ( 10.854 7.078 -2.247) 13.152 2.953 ( 3.040 -0.057 2.835) 4.157 3.981 ( 4.984 0.070 0.370) 4.998 4.142 ( 1.896 2.081 1.478) 3.180 4.298 ( 3.551 -1.767 0.236) 3.973 4.457 ( 1.525 -2.207 6.420) 6.958 4.834 ( -4.441 4.554 -2.893) 6.988 4.910 ( -1.166 6.107 -0.968) 6.292 5.551 ( 0.908 1.339 -0.153) 1.625 5.967 ( 13.234 -7.919 0.935) 15.451 6.704 ( -17.842 5.053 -8.759) 20.508======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 0.000 2.222 0.125) 2.226 2.047 ( 0.000 6.966 -0.772) 7.008 2.815 ( -0.000 1.916 3.080) 3.627 3.810 ( -0.000 4.535 1.849) 4.897 4.017 ( -0.000 1.180 0.218) 1.200 4.187 ( -0.000 -9.018 8.420) 12.338 4.441 ( -0.000 -0.607 3.395) 3.448 4.891 ( 0.000 6.516 -4.896) 8.150 5.012 ( -0.000 6.637 3.417) 7.465 5.505 ( 0.000 1.833 -3.235) 3.718 5.642 ( 0.000 -9.542 -3.321) 10.104 7.243 ( 0.000 2.626 -16.153) 16.365======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( 0.905 2.525 1.723) 3.188 2.172 ( 8.157 5.043 -1.291) 9.676 2.853 ( 1.945 0.194 4.549) 4.951 3.870 ( 1.891 3.010 1.532) 3.871 4.043 ( 2.138 0.029 -0.170) 2.145 4.158 ( 2.995 -6.966 6.989) 10.312 4.449 ( -0.054 -0.557 4.375) 4.411 4.931 ( -1.162 6.523 -3.254) 7.381 5.030 ( -4.076 4.011 0.071) 5.719 5.534 ( 1.014 1.321 -2.268) 2.814 5.606 ( 6.323 -4.968 -2.644) 8.465 7.158 ( -7.791 4.717 -14.320) 16.971======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 1.473 2.570 2.385) 3.803 2.383 ( 12.493 3.467 -2.535) 13.211 2.910 ( 2.851 -0.891 4.892) 5.732 3.927 ( 1.943 0.038 1.995) 2.785 4.075 ( 4.440 -3.107 -1.571) 5.643 4.220 ( 5.695 -0.280 5.615) 8.003 4.459 ( -0.073 -0.456 5.307) 5.328 4.932 ( -3.829 2.956 -2.000) 5.235 5.002 ( -3.014 5.344 -1.412) 6.295 5.544 ( 0.927 0.574 -0.437) 1.174 5.711 ( 10.250 -3.062 -2.550) 10.997 6.986 ( -13.637 6.158 -11.173) 18.674======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -0.000 2.873 3.121) 4.241 2.133 ( 0.000 2.594 -0.693) 2.685 2.853 ( -0.000 -0.249 5.918) 5.923 3.879 ( -0.000 1.471 0.705) 1.632 4.025 ( -0.000 -0.464 0.136) 0.483 4.089 ( -0.000 -6.469 6.974) 9.512 4.460 ( -0.000 -0.230 4.353) 4.359 4.991 ( 0.000 5.373 -1.601) 5.606 5.086 ( 0.000 1.059 -1.613) 1.930 5.514 ( 0.000 1.770 -3.941) 4.320 5.532 ( 0.000 -0.761 -2.023) 2.161 7.226 ( 0.000 6.512 -13.932) 15.379======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 0.529 2.823 3.487) 4.517 2.216 ( 8.169 0.475 -1.330) 8.290 2.888 ( 1.396 -0.025 6.342) 6.494 3.912 ( 2.439 0.370 1.701) 2.996 3.985 ( -0.768 -4.947 0.232) 5.011 4.132 ( 6.308 -1.286 4.994) 8.148 4.475 ( 0.001 -0.031 4.353) 4.354 4.995 ( -2.484 -0.205 -1.647) 2.988 5.077 ( -1.516 2.987 -1.279) 3.586 5.524 ( 0.855 -0.302 -2.499) 2.659 5.577 ( 4.915 3.521 -2.665) 6.608 7.188 ( -7.375 7.888 -12.404) 16.446======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( -0.000 2.674 3.668) 4.539 2.135 ( 0.000 -2.085 -0.686) 2.195 2.908 ( -0.000 1.166 6.805) 6.904 3.870 ( -0.000 -2.974 0.998) 3.137 4.008 ( 0.000 -0.907 -0.586) 1.080 4.040 ( -0.000 -3.513 6.468) 7.360 4.489 ( -0.000 0.096 3.760) 3.762 4.980 ( 0.000 -5.283 -3.198) 6.176 5.110 ( -0.000 1.704 0.615) 1.812 5.519 ( 0.000 1.499 -3.801) 4.086 5.574 ( 0.000 7.005 -1.622) 7.191 7.288 ( 0.000 9.193 -12.729) 15.701======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( -0.000 -0.000 12.976) 12.976 0.726 ( -0.000 -0.000 12.976) 12.976 1.304 ( -0.000 -0.000 25.607) 25.607 3.487 ( 0.000 0.000 -0.689) 0.689 3.487 ( 0.000 0.000 -0.689) 0.689 3.868 ( 0.000 0.000 -3.502) 3.502 3.868 ( 0.000 0.000 -3.502) 3.502 4.742 ( 0.000 0.000 -9.803) 9.803 5.526 ( -0.000 -0.000 2.944) 2.944 5.526 ( -0.000 -0.000 2.944) 2.944 6.064 ( -0.000 -0.000 2.665) 2.665 9.312 ( -0.000 -0.000 0.958) 0.958======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 6.995 4.038 10.181) 12.995 0.893 ( 9.884 5.707 13.519) 17.693 1.431 ( 4.742 2.738 16.721) 17.595 3.509 ( 1.649 0.952 -1.112) 2.205 3.591 ( 8.920 5.150 -1.538) 10.415 3.862 ( 0.368 0.213 -2.832) 2.864 3.959 ( 9.585 5.534 -3.142) 11.506 4.695 ( -1.059 -0.611 -8.447) 8.535 5.300 ( -12.090 -6.980 6.515) 15.406 5.578 ( 1.255 0.725 1.843) 2.345 6.327 ( 14.805 8.548 -4.409) 17.655 8.991 ( -26.734 -15.435 6.259) 31.498======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 10.357 5.980 6.559) 13.640 1.137 ( 6.138 3.544 15.045) 16.631 1.669 ( 14.556 8.404 2.173) 16.948 3.553 ( 2.745 1.585 -1.290) 3.422 3.821 ( 11.589 6.691 0.616) 13.396 3.866 ( 0.841 0.485 -2.199) 2.404 4.228 ( 14.110 8.146 -3.669) 16.701 4.655 ( 0.247 0.142 -4.958) 4.966 5.094 ( -8.843 -5.105 4.598) 11.198 5.588 ( -0.737 -0.426 0.085) 0.855 6.551 ( 6.819 3.937 -7.026) 10.552 8.309 ( -35.574 -20.539 8.366) 41.921======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 4.025 2.324 8.344) 9.551 1.351 ( 11.723 6.768 3.642) 14.018 2.058 ( 19.299 11.143 -1.878) 22.364 3.620 ( 3.668 2.118 -1.384) 4.456 3.885 ( 1.534 0.886 -1.488) 2.314 4.086 ( 11.225 6.481 3.380) 13.395 4.456 ( 6.253 3.610 -5.913) 9.332 4.731 ( 8.646 4.992 -1.091) 10.043 4.921 ( -8.081 -4.665 1.639) 9.474 5.550 ( -2.290 -1.322 -1.176) 2.894 6.589 ( -0.831 -0.480 -6.661) 6.730 7.538 ( -35.459 -20.472 7.078) 41.552======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 4.881 2.818 1.606) 5.861 1.617 ( 11.316 6.533 1.883) 13.201 2.461 ( 17.046 9.841 -2.139) 19.798 3.701 ( 4.015 2.318 -1.688) 4.934 3.924 ( 2.241 1.294 -0.543) 2.644 4.319 ( 8.278 4.779 4.185) 10.435 4.525 ( 3.347 1.933 -3.274) 5.065 4.743 ( -7.895 -4.558 -1.048) 9.177 4.949 ( 9.678 5.588 -4.093) 11.901 5.490 ( -2.535 -1.464 -1.027) 3.102 6.427 ( -14.868 -8.584 -8.467) 19.142 6.911 ( -19.044 -10.995 11.329) 24.737======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 4.744 2.739 -2.049) 5.848 1.853 ( 9.347 5.397 1.147) 10.854 2.765 ( 10.894 6.290 -3.114) 12.959 3.780 ( 3.667 2.117 -1.924) 4.651 3.975 ( 2.311 1.334 0.219) 2.677 4.450 ( 1.251 0.722 -0.542) 1.543 4.577 ( -5.251 -3.032 -2.231) 6.461 4.620 ( 5.919 3.417 2.087) 7.146 5.096 ( 5.317 3.070 -8.477) 10.467 5.444 ( -1.396 -0.806 0.627) 1.729 5.934 ( -21.721 -12.541 -4.095) 25.413 6.790 ( -0.544 -0.314 14.083) 14.097======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 3.634 2.098 -3.465) 5.442 2.029 ( 6.153 3.553 0.879) 7.159 2.911 ( 3.815 2.203 -5.392) 6.963 3.846 ( 2.814 1.624 -1.501) 3.579 4.017 ( 1.178 0.680 0.321) 1.397 4.336 ( -7.185 -4.148 -5.618) 10.019 4.535 ( -0.377 -0.217 -3.144) 3.174 4.795 ( 8.433 4.869 3.069) 10.209 5.118 ( -0.641 -0.370 -6.892) 6.932 5.438 ( 0.310 0.179 2.803) 2.826 5.584 ( -8.771 -5.064 1.853) 10.296 6.892 ( 4.375 2.526 15.592) 16.390======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 2.815 1.625 -3.791) 4.994 2.126 ( 2.322 1.341 0.719) 2.776 2.923 ( 0.269 0.155 -7.331) 7.338 3.887 ( 1.037 0.599 -0.871) 1.481 4.025 ( -0.528 -0.305 0.234) 0.653 4.164 ( -5.868 -3.388 -7.172) 9.867 4.508 ( -0.514 -0.297 -4.449) 4.488 4.980 ( 6.403 3.697 0.486) 7.409 5.068 ( -1.617 -0.934 1.564) 2.436 5.471 ( 1.444 0.834 4.102) 4.428 5.509 ( -0.305 -0.176 2.272) 2.299 7.072 ( 6.871 3.967 15.109) 17.065======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( -0.000 6.120 10.006) 11.730 0.975 ( -0.000 13.463 12.007) 18.039 1.501 ( -0.000 4.777 15.303) 16.032 3.479 ( 0.000 0.337 -0.272) 0.433 3.608 ( 0.000 11.258 -2.010) 11.436 3.846 ( 0.000 0.312 -3.175) 3.190 3.922 ( 0.000 6.661 -1.603) 6.851 4.662 ( 0.000 -1.299 -8.365) 8.466 5.364 ( -0.000 -14.243 5.780) 15.371 5.491 ( -0.000 -2.791 3.150) 4.209 6.366 ( 0.000 20.703 -4.157) 21.117 9.029 ( -0.000 -26.984 4.370) 27.336======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 7.443 8.483 7.474) 13.536 1.178 ( 3.058 10.214 14.275) 17.817 1.624 ( 3.918 10.438 3.415) 11.661 3.515 ( 2.996 1.088 -0.556) 3.235 3.748 ( 4.356 9.229 -0.561) 10.221 3.869 ( 1.833 3.627 -2.215) 4.628 4.077 ( 10.438 7.954 -1.537) 13.213 4.624 ( 0.275 -1.150 -6.199) 6.310 5.180 ( -7.020 -9.332 4.761) 12.610 5.527 ( 3.938 -4.266 1.890) 6.105 6.546 ( 1.932 13.257 -5.666) 14.546 8.578 ( -20.995 -29.611 5.285) 36.682======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 6.833 8.248 6.710) 12.639 1.323 ( 2.336 6.603 9.121) 11.500 1.899 ( 13.321 15.628 -2.843) 20.731 3.583 ( 3.306 2.607 -1.158) 4.366 3.851 ( 2.773 0.922 -0.812) 3.033 4.016 ( 7.301 10.098 1.851) 12.597 4.337 ( 10.994 6.012 -4.359) 13.267 4.633 ( 4.615 0.531 -2.679) 5.363 4.999 ( -7.048 -7.122 2.163) 10.251 5.534 ( 0.950 -3.360 0.573) 3.538 6.619 ( -1.507 5.349 -4.792) 7.338 7.885 ( -30.002 -27.198 4.289) 40.721======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 1.821 3.216 4.477) 5.805 1.559 ( 8.164 12.414 2.315) 15.037 2.285 ( 15.967 13.595 -2.267) 21.093 3.663 ( 3.371 3.626 -1.775) 5.259 3.899 ( 2.247 1.535 -0.379) 2.748 4.247 ( 8.389 6.998 3.707) 11.536 4.472 ( 4.081 2.662 -4.836) 6.865 4.782 ( 10.415 1.963 -4.184) 11.394 4.822 ( -6.637 -6.384 0.444) 9.220 5.507 ( -1.291 -1.490 0.484) 2.030 6.571 ( -7.375 1.768 -4.331) 8.733 7.165 ( -26.926 -22.721 6.003) 35.739======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 3.186 3.381 0.016) 4.646 1.809 ( 6.871 12.042 1.475) 13.943 2.632 ( 12.708 9.413 -2.228) 15.971 3.747 ( 3.102 4.044 -2.309) 5.595 3.955 ( 2.334 2.206 0.371) 3.233 4.419 ( 4.326 2.918 1.590) 5.455 4.552 ( 4.272 3.488 -4.194) 6.929 4.651 ( -6.044 -4.621 1.835) 7.826 4.936 ( 9.244 -1.758 -7.964) 12.327 5.478 ( -1.839 0.616 1.317) 2.345 6.250 ( -26.360 -4.095 -6.940) 27.564 6.806 ( -1.222 -10.114 14.354) 17.602======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 3.185 2.892 -2.141) 4.805 2.017 ( 4.259 10.711 1.346) 11.604 2.847 ( 6.009 4.917 -3.732) 8.615 3.825 ( 2.457 4.031 -2.159) 5.191 4.013 ( 1.408 2.401 0.572) 2.841 4.397 ( -5.958 -3.321 -4.207) 8.014 4.534 ( -1.232 0.583 -4.996) 5.179 4.719 ( 7.329 3.776 4.913) 9.597 5.007 ( 6.409 -4.455 -6.779) 10.338 5.475 ( -0.768 2.239 2.257) 3.271 5.800 ( -20.065 -0.722 -1.798) 20.158 6.853 ( 6.201 -4.393 15.992) 17.706======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 2.482 2.271 -3.068) 4.553 2.158 ( 0.592 9.052 1.364) 9.173 2.908 ( 0.172 1.961 -5.776) 6.102 3.886 ( 1.258 3.350 -1.548) 3.899 4.039 ( -1.085 1.189 0.544) 1.699 4.231 ( -7.117 -1.363 -6.768) 9.916 4.501 ( -0.898 -0.179 -5.157) 5.237 4.900 ( 7.678 3.523 2.515) 8.814 5.032 ( 3.570 -3.839 -0.565) 5.273 5.508 ( 0.600 2.706 2.551) 3.767 5.581 ( -8.781 3.004 2.085) 9.512 7.002 ( 8.835 -2.742 15.250) 17.837======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( -0.000 11.211 6.398) 12.908 1.304 ( -0.000 8.415 14.282) 16.577 1.719 ( 0.000 14.957 -2.038) 15.095 3.495 ( -0.000 1.358 0.393) 1.414 3.842 ( 0.000 1.332 -2.064) 2.457 3.852 ( 0.000 14.586 -0.504) 14.595 4.073 ( -0.000 8.436 1.747) 8.615 4.589 ( 0.000 -1.182 -4.952) 5.091 5.153 ( -0.000 -11.231 3.581) 11.788 5.468 ( -0.000 -1.866 3.003) 3.535 6.635 ( 0.000 10.163 -5.911) 11.757 8.456 ( -0.000 -33.507 1.704) 33.551======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 6.472 12.376 4.752) 14.752 1.397 ( -0.509 3.217 10.150) 10.660 1.911 ( 4.721 20.204 -4.970) 21.336 3.545 ( 3.407 2.174 0.268) 4.051 3.843 ( -0.043 2.850 -0.569) 2.907 4.036 ( 3.972 11.966 0.870) 12.638 4.227 ( 7.664 7.704 0.890) 10.903 4.577 ( 1.458 -0.356 -2.101) 2.582 5.025 ( -4.245 -8.789 1.376) 9.857 5.484 ( 2.066 -1.869 2.419) 3.689 6.670 ( -1.081 2.622 -4.696) 5.486 8.001 ( -16.219 -30.583 -1.501) 34.650======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -0.431 2.822 4.354) 5.207 1.564 ( 8.275 13.656 2.579) 16.175 2.208 ( 9.781 18.173 -3.041) 20.861 3.635 ( 3.924 3.485 -0.722) 5.298 3.883 ( 1.596 2.603 0.300) 3.068 4.218 ( 5.346 8.875 3.019) 10.792 4.406 ( 5.763 4.393 -3.411) 8.009 4.639 ( 6.215 0.921 0.455) 6.300 4.867 ( -5.766 -6.674 -1.039) 8.881 5.504 ( 0.910 -0.863 2.210) 2.541 6.632 ( -1.271 -2.723 -1.442) 3.333 7.380 ( -24.501 -24.105 -3.605) 34.559======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 1.279 3.219 0.743) 3.542 1.838 ( 6.971 14.829 1.563) 16.460 2.530 ( 11.068 13.134 -1.597) 17.250 3.731 ( 3.383 4.637 -1.800) 6.015 3.944 ( 2.197 2.953 1.091) 3.838 4.386 ( 4.590 4.854 2.131) 7.012 4.501 ( 4.428 3.128 -2.316) 5.895 4.702 ( -4.936 -4.918 -1.245) 7.078 4.762 ( 6.084 -0.695 -3.534) 7.070 5.511 ( -0.652 0.409 2.016) 2.158 6.572 ( -8.367 0.962 -3.756) 9.222 6.777 ( -15.967 -20.752 3.954) 26.480======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( 2.273 3.250 -0.914) 4.070 2.080 ( 4.408 14.592 1.525) 15.319 2.785 ( 7.522 8.055 -1.939) 11.190 3.822 ( 2.621 5.397 -2.193) 6.388 4.016 ( 2.072 3.456 1.255) 4.220 4.425 ( -1.959 -2.405 -1.202) 3.326 4.561 ( -2.796 2.644 -8.274) 9.125 4.659 ( 5.498 1.912 6.178) 8.489 4.830 ( 6.548 -3.728 -4.159) 8.607 5.510 ( -0.771 0.902 1.790) 2.147 6.172 ( -25.031 0.959 -6.977) 26.003 6.707 ( 8.900 -10.857 13.975) 19.808======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 2.054 2.889 -1.748) 3.952 2.267 ( 0.990 13.670 2.049) 13.858 2.908 ( 1.567 4.185 -3.573) 5.722 3.898 ( 1.156 4.944 -1.850) 5.404 4.076 ( 0.288 3.602 0.779) 3.697 4.312 ( -6.234 -1.688 -4.202) 7.706 4.504 ( -2.293 0.295 -6.673) 7.062 4.817 ( 7.215 2.785 3.394) 8.446 4.899 ( 7.048 -3.278 -0.327) 7.780 5.523 ( 0.410 1.127 1.639) 2.031 5.844 ( -16.524 5.780 -1.638) 17.582 6.833 ( 11.000 -8.776 13.770) 19.689======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( -0.000 13.764 3.224) 14.137 1.450 ( -0.000 0.804 6.001) 6.055 2.064 ( 0.000 22.199 -5.196) 22.799 3.539 ( -0.000 2.611 1.460) 2.992 3.870 ( 0.000 2.571 -0.857) 2.710 4.128 ( 0.000 12.745 1.515) 12.835 4.254 ( -0.000 8.173 4.775) 9.466 4.561 ( -0.000 0.326 0.379) 0.500 4.979 ( -0.000 -8.390 -0.072) 8.391 5.461 ( -0.000 -0.729 2.069) 2.194 6.652 ( 0.000 -5.432 -3.846) 6.656 7.836 ( 0.000 -27.320 -7.449) 28.317======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( -0.730 1.403 1.443) 2.141 1.566 ( 7.093 13.577 1.880) 15.433 2.281 ( 3.195 20.172 -3.155) 20.665 3.603 ( 3.299 3.379 1.342) 4.909 3.898 ( 0.466 3.206 0.029) 3.240 4.255 ( 1.974 8.444 3.174) 9.234 4.376 ( 2.971 6.433 1.276) 7.200 4.597 ( 2.123 2.355 4.395) 5.419 4.874 ( -3.263 -6.360 -2.343) 7.522 5.480 ( 1.833 -0.245 1.731) 2.533 6.552 ( 0.730 -13.562 -0.853) 13.608 7.464 ( -13.133 -18.482 -11.927) 25.619======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 0.442 2.373 -0.420) 2.450 1.845 ( 9.321 13.969 0.872) 16.816 2.523 ( 5.915 15.547 -1.085) 16.669 3.706 ( 4.110 4.259 0.240) 5.924 3.949 ( 1.530 3.521 0.987) 3.964 4.381 ( 3.277 5.619 2.857) 7.104 4.455 ( 2.791 1.207 0.340) 3.060 4.683 ( 2.010 2.653 3.423) 4.774 4.750 ( -4.145 -2.864 -4.398) 6.688 5.516 ( 1.260 0.278 1.445) 1.938 6.450 ( 5.462 -17.821 4.984) 19.294 7.003 ( -21.160 -7.462 -13.893) 26.390======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 1.654 3.053 -0.560) 3.517 2.126 ( 7.729 14.073 0.452) 16.062 2.751 ( 6.422 10.321 -0.276) 12.159 3.818 ( 3.754 5.479 -0.651) 6.674 4.019 ( 2.152 3.653 1.312) 4.438 4.423 ( -0.964 -1.927 -0.052) 2.155 4.554 ( 5.908 1.781 1.357) 6.318 4.659 ( -3.214 2.271 -2.626) 4.731 4.733 ( 1.424 0.138 -0.356) 1.474 5.528 ( -0.254 0.120 0.595) 0.658 6.434 ( 6.926 -18.134 8.952) 21.377 6.573 ( -18.842 3.186 -10.683) 21.893======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 1.861 3.135 -0.536) 3.685 2.365 ( 4.607 13.702 1.081) 14.496 2.909 ( 3.125 5.852 -1.216) 6.745 3.926 ( 2.185 6.607 -0.748) 6.999 4.090 ( 1.946 3.253 0.041) 3.791 4.359 ( -2.854 -2.787 -0.396) 4.009 4.550 ( -5.045 0.635 -6.081) 7.927 4.723 ( 6.778 -0.281 3.334) 7.559 4.789 ( 4.519 2.625 0.338) 5.237 5.530 ( 0.221 0.531 0.603) 0.833 6.184 ( -18.234 4.433 -5.521) 19.560 6.576 ( 12.016 -11.719 9.827) 19.449======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( 0.000 0.959 -1.281) 1.600 1.637 ( 0.000 13.496 0.747) 13.517 2.435 ( 0.000 18.208 -1.867) 18.304 3.618 ( -0.000 4.119 2.658) 4.902 3.923 ( 0.000 3.147 -0.257) 3.158 4.320 ( -0.000 5.056 5.418) 7.411 4.418 ( -0.000 4.108 0.912) 4.208 4.646 ( -0.000 6.578 8.973) 11.126 4.836 ( 0.000 -4.684 -3.956) 6.131 5.465 ( -0.000 0.171 0.346) 0.386 6.367 ( -0.000 -21.428 -0.989) 21.451 7.380 ( 0.000 -10.831 -16.717) 19.919======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 0.392 2.021 -1.670) 2.651 1.827 ( 7.284 12.489 -0.102) 14.458 2.604 ( 1.954 14.178 -0.034) 14.312 3.693 ( 2.701 4.587 2.368) 5.826 3.961 ( 1.097 3.228 0.128) 3.412 4.392 ( 2.206 1.750 7.464) 7.977 4.438 ( 0.074 -0.422 0.301) 0.524 4.749 ( -0.979 7.856 7.978) 11.239 4.768 ( -2.332 -0.879 -5.966) 6.465 5.490 ( 2.231 0.536 -0.106) 2.296 6.177 ( 4.052 -22.818 0.822) 23.189 7.158 ( -10.461 -3.688 -17.860) 21.024======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( 1.365 2.907 -0.448) 3.243 2.093 ( 10.405 11.563 -0.903) 15.582 2.768 ( 3.672 9.677 1.317) 10.434 3.802 ( 3.954 4.896 1.513) 6.473 4.021 ( 2.110 3.379 0.418) 4.006 4.412 ( -0.165 -4.828 1.404) 5.031 4.480 ( 3.919 -0.068 6.690) 7.754 4.725 ( -1.971 4.522 -6.189) 7.914 4.790 ( -4.014 5.212 3.401) 7.406 5.524 ( 0.957 0.270 -0.837) 1.299 6.109 ( 10.910 -18.774 4.861) 22.251 6.864 ( -16.309 2.026 -15.564) 22.635======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 0.000 2.520 -1.255) 2.815 1.872 ( 0.000 10.866 -0.629) 10.884 2.710 ( 0.000 10.436 1.552) 10.551 3.726 ( -0.000 4.879 2.873) 5.662 3.979 ( 0.000 2.695 -0.081) 2.696 4.380 ( -0.000 -6.278 8.732) 10.754 4.448 ( -0.000 1.609 2.127) 2.667 4.771 ( 0.000 2.664 -7.167) 7.646 4.881 ( -0.000 8.763 9.525) 12.942 5.470 ( 0.000 0.748 -1.688) 1.846 5.924 ( -0.000 -20.993 -1.886) 21.077 7.157 ( 0.000 -0.689 -18.949) 18.962======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( 0.866 3.112 0.434) 3.259 2.031 ( 7.507 9.156 -1.167) 11.898 2.811 ( 1.561 6.470 3.026) 7.311 3.801 ( 2.301 4.552 2.320) 5.603 4.017 ( 1.674 2.364 -0.101) 2.899 4.343 ( 1.235 -8.546 6.257) 10.663 4.475 ( 0.501 0.185 5.205) 5.233 4.780 ( -1.033 6.402 -6.160) 8.945 4.942 ( -4.722 6.111 5.479) 9.470 5.497 ( 2.267 1.072 -2.050) 3.239 5.794 ( 6.863 -15.811 -0.512) 17.244 7.030 ( -8.128 2.516 -17.466) 19.428======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( -0.000 3.363 2.024) 3.925 2.038 ( 0.000 7.006 -0.899) 7.064 2.857 ( -0.000 3.062 4.729) 5.634 3.829 ( -0.000 3.828 1.777) 4.220 4.019 ( 0.000 1.298 0.023) 1.298 4.269 ( -0.000 -9.193 7.197) 11.675 4.487 ( -0.000 -0.543 5.099) 5.128 4.838 ( 0.000 8.121 -4.931) 9.501 5.056 ( -0.000 3.192 5.062) 5.984 5.470 ( 0.000 1.207 -3.328) 3.540 5.609 ( 0.000 -9.432 -2.830) 9.847 7.067 ( 0.000 4.242 -17.298) 17.810======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( -0.000 -0.000 9.645) 9.645 0.844 ( -0.000 -0.000 9.645) 9.645 1.545 ( -0.000 -0.000 20.272) 20.272 3.478 ( 0.000 0.000 -0.919) 0.919 3.478 ( 0.000 0.000 -0.919) 0.919 3.836 ( 0.000 0.000 -2.671) 2.671 3.836 ( 0.000 0.000 -2.671) 2.671 4.642 ( 0.000 0.000 -8.932) 8.932 5.555 ( -0.000 -0.000 2.480) 2.480 5.555 ( -0.000 -0.000 2.480) 2.480 6.089 ( -0.000 -0.000 2.105) 2.105 9.322 ( -0.000 -0.000 0.833) 0.833======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 5.920 3.418 7.090) 9.848 1.018 ( 11.747 6.782 10.269) 17.013 1.587 ( -1.152 -0.665 12.848) 12.917 3.495 ( 1.529 0.883 -1.361) 2.229 3.582 ( 9.121 5.266 -0.422) 10.541 3.836 ( 0.544 0.314 -2.122) 2.213 3.930 ( 9.502 5.486 -2.340) 11.219 4.609 ( -0.140 -0.081 -7.568) 7.570 5.358 ( -11.591 -6.692 4.729) 14.195 5.592 ( 0.560 0.324 0.637) 0.908 6.298 ( 12.338 7.123 -1.481) 14.323 9.041 ( -24.171 -13.955 3.478) 28.126======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 9.300 5.369 4.170) 11.520 1.297 ( 5.582 3.223 15.282) 16.586 1.673 ( 10.650 6.149 -1.499) 12.388 3.537 ( 2.705 1.562 -1.671) 3.542 3.833 ( 12.692 7.328 1.459) 14.728 3.846 ( 1.038 0.599 -1.591) 1.992 4.189 ( 13.034 7.525 -3.762) 15.513 4.600 ( 1.950 1.126 -5.226) 5.691 5.138 ( -9.819 -5.669 3.668) 11.917 5.582 ( -1.289 -0.744 -1.239) 1.937 6.504 ( 6.186 3.571 -2.145) 7.458 8.380 ( -35.120 -20.277 5.425) 40.915======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 0.176 0.102 8.944) 8.946 1.381 ( 11.043 6.376 2.062) 12.918 2.034 ( 19.576 11.302 -2.437) 22.735 3.601 ( 3.609 2.084 -2.112) 4.672 3.873 ( 1.835 1.060 -0.875) 2.293 4.120 ( 11.975 6.914 2.987) 14.147 4.394 ( 6.344 3.663 -5.647) 9.249 4.695 ( 8.196 4.732 -5.179) 10.788 4.942 ( -8.821 -5.093 2.192) 10.418 5.534 ( -2.294 -1.324 -1.966) 3.299 6.552 ( -1.511 -0.872 -0.709) 1.883 7.609 ( -34.601 -19.977 6.768) 40.523======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 2.333 1.347 2.981) 4.018 1.633 ( 11.050 6.380 1.125) 12.809 2.440 ( 16.864 9.737 -1.734) 19.550 3.677 ( 3.978 2.296 -2.669) 5.312 3.921 ( 2.552 1.473 -0.090) 2.948 4.355 ( 7.722 4.458 2.480) 9.255 4.480 ( 4.078 2.355 -5.059) 6.912 4.746 ( -6.778 -3.913 1.338) 7.940 4.880 ( 7.213 4.164 -8.560) 11.944 5.480 ( -1.876 -1.083 -0.959) 2.368 6.371 ( -16.529 -9.543 -2.687) 19.274 7.045 ( -15.944 -9.205 14.197) 23.249======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 3.331 1.923 -0.282) 3.856 1.864 ( 9.275 5.355 0.965) 10.753 2.734 ( 10.014 5.782 -2.776) 11.892 3.756 ( 3.926 2.267 -2.673) 5.263 3.978 ( 2.394 1.382 0.200) 2.772 4.436 ( -2.666 -1.539 -2.208) 3.789 4.504 ( 0.347 0.200 -7.962) 7.972 4.691 ( 2.730 1.576 7.872) 8.480 4.990 ( 5.679 3.279 -10.934) 12.750 5.454 ( -0.400 -0.231 1.280) 1.361 5.914 ( -19.619 -11.327 -0.205) 22.655 6.961 ( -0.449 -0.259 18.109) 18.117======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( -0.000 5.382 7.170) 8.965 1.080 ( -0.000 15.468 7.851) 17.346 1.638 ( -0.000 -1.884 10.824) 10.987 3.475 ( 0.000 0.700 -0.341) 0.779 3.592 ( 0.000 11.186 -1.056) 11.235 3.820 ( 0.000 0.357 -1.889) 1.922 3.909 ( 0.000 7.910 -0.967) 7.969 4.582 ( 0.000 -0.355 -6.765) 6.775 5.409 ( -0.000 -13.333 2.962) 13.658 5.524 ( -0.000 -2.620 3.154) 4.100 6.332 ( 0.000 17.550 -2.513) 17.729 9.063 ( -0.000 -25.595 2.195) 25.689======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 6.448 8.071 4.747) 11.369 1.316 ( 5.214 12.800 11.681) 18.096 1.641 ( 0.433 3.040 -0.060) 3.071 3.509 ( 2.316 1.611 -0.591) 2.883 3.746 ( 5.033 9.196 0.120) 10.483 3.852 ( 2.523 4.283 -1.121) 5.096 4.064 ( 8.692 8.978 -0.938) 12.531 4.564 ( 0.838 0.194 -4.844) 4.920 5.220 ( -7.148 -10.145 2.938) 12.754 5.544 ( 2.362 -3.373 1.321) 4.325 6.500 ( 2.524 11.696 -3.179) 12.381 8.619 ( -19.840 -30.499 2.686) 36.483======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 7.728 10.480 2.513) 13.262 1.429 ( -1.873 0.467 9.805) 9.994 1.862 ( 14.451 15.780 -3.798) 21.731 3.569 ( 2.675 2.963 -1.302) 4.199 3.844 ( 2.536 1.294 -0.576) 2.905 4.037 ( 8.552 10.677 1.908) 13.812 4.293 ( 8.799 6.082 -3.879) 11.378 4.601 ( 4.693 2.174 -3.244) 6.105 5.020 ( -7.362 -8.371 1.663) 11.271 5.537 ( -0.246 -1.892 -0.224) 1.921 6.588 ( -0.492 4.543 -1.097) 4.699 7.924 ( -28.379 -29.353 3.239) 40.957======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 0.042 0.879 4.144) 4.237 1.576 ( 7.765 12.438 0.962) 14.695 2.265 ( 16.324 13.647 -1.369) 21.321 3.642 ( 2.879 3.791 -2.175) 5.234 3.897 ( 2.345 2.046 0.010) 3.112 4.279 ( 8.419 7.046 2.118) 11.181 4.422 ( 4.374 3.345 -4.370) 7.030 4.724 ( 7.348 2.683 -6.550) 10.203 4.833 ( -6.148 -7.372 1.478) 9.713 5.508 ( -1.782 0.179 -0.457) 1.849 6.544 ( -9.154 -0.205 -1.017) 9.213 7.241 ( -21.433 -23.364 8.557) 32.840======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 1.939 2.129 1.237) 3.135 1.822 ( 6.836 12.266 0.845) 14.068 2.612 ( 12.099 9.222 -1.493) 15.286 3.720 ( 2.969 4.221 -2.701) 5.825 3.960 ( 2.282 2.601 0.385) 3.482 4.429 ( 3.119 1.993 0.234) 3.709 4.482 ( 0.225 2.091 -7.669) 7.953 4.700 ( -1.234 -3.009 6.142) 6.950 4.844 ( 7.723 0.028 -9.224) 12.030 5.487 ( -1.581 1.751 0.535) 2.419 6.198 ( -24.036 -6.046 -3.310) 25.005 6.973 ( 0.548 -10.529 17.270) 20.234======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -0.000 10.269 4.273) 11.123 1.444 ( -0.000 9.515 12.195) 15.468 1.674 ( 0.000 9.245 -6.541) 11.326 3.500 ( -0.000 1.844 0.544) 1.922 3.828 ( 0.000 1.509 -0.775) 1.696 3.852 ( 0.000 15.306 0.312) 15.310 4.094 ( -0.000 10.202 2.251) 10.448 4.546 ( 0.000 0.547 -2.961) 3.011 5.180 ( -0.000 -11.937 1.483) 12.028 5.501 ( -0.000 -2.195 3.281) 3.947 6.577 ( 0.000 9.667 -5.143) 10.950 8.462 ( -0.000 -35.999 -0.264) 36.000======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.317 ( 6.351 11.914 2.595) 13.748 1.487 ( -1.724 -1.818 6.055) 6.553 1.857 ( 5.885 21.538 -4.605) 22.797 3.549 ( 2.667 2.680 0.536) 3.819 3.839 ( 0.235 2.961 -0.163) 2.975 4.047 ( 4.673 12.916 0.966) 13.769 4.239 ( 4.633 8.532 1.381) 9.806 4.563 ( 1.675 2.037 -0.329) 2.658 5.034 ( -4.463 -10.083 0.394) 11.034 5.509 ( 1.501 -1.789 2.254) 3.246 6.625 ( 0.078 3.148 -3.848) 4.972 7.980 ( -14.992 -34.703 -2.262) 37.870======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( -0.691 0.214 1.813) 1.952 1.582 ( 7.895 13.437 0.897) 15.611 2.185 ( 10.541 18.568 -1.279) 21.389 3.629 ( 2.913 3.867 -0.326) 4.853 3.886 ( 1.763 3.065 0.154) 3.539 4.245 ( 5.589 9.358 1.680) 11.028 4.377 ( 3.944 5.096 -1.761) 6.681 4.641 ( 3.985 3.227 -0.013) 5.128 4.860 ( -5.569 -8.401 -0.340) 10.085 5.522 ( 0.423 -0.264 0.949) 1.072 6.622 ( -0.568 -0.871 -0.493) 1.151 7.353 ( -20.711 -29.527 -1.377) 36.092======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 1.104 1.885 0.805) 2.328 1.848 ( 7.054 14.876 0.368) 16.467 2.519 ( 10.927 13.242 -0.414) 17.174 3.714 ( 2.570 5.000 -1.220) 5.753 3.952 ( 2.276 3.395 0.317) 4.099 4.398 ( 3.685 4.314 -0.076) 5.674 4.471 ( 2.620 4.437 -2.777) 5.854 4.709 ( -3.103 -5.512 1.731) 6.558 4.724 ( 3.784 0.814 -2.957) 4.871 5.523 ( -0.722 0.860 0.172) 1.136 6.512 ( -17.141 -0.476 -6.521) 18.346 6.866 ( -2.005 -22.533 11.650) 25.446======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 0.000 12.894 1.669) 13.002 1.486 ( -0.000 -2.747 0.294) 2.763 2.021 ( 0.000 23.496 -2.596) 23.639 3.556 ( -0.000 3.206 1.895) 3.724 3.865 ( 0.000 2.639 -0.150) 2.644 4.143 ( 0.000 13.691 1.028) 13.729 4.299 ( -0.000 8.167 3.872) 9.038 4.581 ( -0.000 3.637 3.672) 5.168 4.975 ( -0.000 -9.811 -0.745) 9.839 5.485 ( -0.000 -1.616 2.437) 2.924 6.608 ( 0.000 -3.486 -4.368) 5.589 7.757 ( 0.000 -32.784 -7.475) 33.625======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -0.294 -0.246 -1.750) 1.791 1.579 ( 7.035 13.041 0.504) 14.826 2.261 ( 3.553 20.890 -0.724) 21.202 3.620 ( 2.466 3.882 1.907) 4.979 3.898 ( 0.748 3.278 -0.058) 3.363 4.283 ( 2.050 10.026 1.491) 10.341 4.389 ( 1.246 5.686 1.795) 6.091 4.654 ( 0.799 5.380 6.366) 8.373 4.851 ( -3.473 -8.224 -1.988) 9.146 5.498 ( 1.906 -0.944 1.428) 2.562 6.544 ( 2.495 -10.904 -0.558) 11.200 7.344 ( -11.744 -24.396 -10.881) 29.180======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 0.000 0.881 -2.859) 2.991 1.640 ( 0.000 12.915 -0.192) 12.916 2.428 ( 0.000 19.049 0.395) 19.054 3.647 ( -0.000 4.407 2.941) 5.298 3.921 ( 0.000 3.146 -0.121) 3.148 4.362 ( -0.000 8.003 1.744) 8.190 4.433 ( -0.000 3.391 2.948) 4.493 4.738 ( -0.000 4.747 6.279) 7.871 4.810 ( -0.000 -3.678 0.984) 3.807 5.471 ( -0.000 -1.067 0.715) 1.285 6.360 ( -0.000 -20.643 -0.127) 20.643 7.206 ( 0.000 -14.302 -16.342) 21.716======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( -0.000 -0.000 5.935) 5.935 0.926 ( -0.000 -0.000 5.935) 5.935 1.721 ( -0.000 -0.000 13.205) 13.205 3.469 ( 0.000 0.000 -0.817) 0.817 3.469 ( 0.000 0.000 -0.817) 0.817 3.813 ( 0.000 0.000 -1.592) 1.592 3.813 ( 0.000 0.000 -1.592) 1.592 4.561 ( 0.000 0.000 -6.371) 6.371 5.576 ( -0.000 -0.000 1.643) 1.643 5.576 ( -0.000 -0.000 1.643) 1.643 6.107 ( -0.000 -0.000 1.333) 1.333 9.329 ( -0.000 -0.000 0.564) 0.564======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 5.175 2.988 3.530) 6.940 1.105 ( 13.495 7.791 6.174) 16.761 1.695 ( -5.162 -2.980 7.567) 9.632 3.482 ( 1.342 0.775 -1.071) 1.884 3.580 ( 9.651 5.572 0.056) 11.144 3.817 ( 0.603 0.348 -1.372) 1.539 3.911 ( 9.142 5.278 -1.329) 10.639 4.543 ( 0.304 0.176 -4.877) 4.890 5.399 ( -11.222 -6.479 3.136) 13.332 5.592 ( -0.268 -0.155 -0.630) 0.702 6.292 ( 11.420 6.594 0.063) 13.187 9.068 ( -22.715 -13.115 1.752) 26.288======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 8.705 5.026 1.321) 10.138 1.450 ( 7.624 4.402 13.557) 16.165 1.637 ( 6.439 3.717 -5.272) 9.114 3.520 ( 2.458 1.419 -1.453) 3.189 3.832 ( 1.209 0.698 -1.014) 1.725 3.847 ( 13.411 7.743 1.107) 15.525 4.152 ( 11.655 6.729 -3.339) 13.866 4.553 ( 2.329 1.344 -3.524) 4.433 5.170 ( -10.286 -5.939 2.306) 12.099 5.563 ( -1.711 -0.988 -2.332) 3.056 6.501 ( 6.474 3.738 1.459) 7.617 8.425 ( -34.194 -19.742 3.350) 39.626======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 10.858 6.269 0.188) 12.539 1.454 ( -2.504 -1.446 6.017) 6.676 2.014 ( 20.411 11.785 -1.048) 23.592 3.578 ( 3.279 1.893 -2.204) 4.381 3.866 ( 2.119 1.223 -0.384) 2.477 4.143 ( 12.281 7.091 1.181) 14.230 4.341 ( 6.484 3.744 -4.452) 8.711 4.634 ( 6.153 3.553 -5.993) 9.295 4.963 ( -8.950 -5.167 1.593) 10.456 5.511 ( -1.982 -1.145 -2.406) 3.321 6.567 ( -2.029 -1.171 3.118) 3.900 7.681 ( -32.197 -18.589 7.002) 37.832======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( -0.000 5.199 3.832) 6.458 1.137 ( -0.000 16.705 3.176) 17.005 1.722 ( -0.000 -6.273 5.055) 8.056 3.473 ( 0.000 1.031 -0.120) 1.038 3.585 ( 0.000 11.468 -0.424) 11.476 3.807 ( 0.000 0.477 -0.544) 0.723 3.902 ( 0.000 8.991 -0.331) 8.998 4.527 ( 0.000 0.215 -3.493) 3.500 5.428 ( -0.000 -12.848 0.602) 12.862 5.555 ( -0.000 -2.081 2.667) 3.382 6.311 ( 0.000 15.114 -1.631) 15.201 9.078 ( -0.000 -25.156 0.749) 25.168======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 5.365 8.187 1.628) 9.922 1.409 ( 9.507 17.961 5.257) 20.990 1.630 ( -3.388 -5.184 -1.222) 6.312 3.504 ( 1.642 2.076 -0.255) 2.659 3.748 ( 5.152 8.939 0.117) 10.318 3.845 ( 2.974 5.062 -0.284) 5.878 4.058 ( 6.891 9.931 -0.314) 12.092 4.528 ( 0.860 1.021 -1.848) 2.279 5.241 ( -6.723 -10.800 1.000) 12.761 5.554 ( 0.328 -2.068 0.471) 2.146 6.478 ( 4.192 9.950 -1.035) 10.846 8.637 ( -18.750 -31.223 0.818) 36.430======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 7.285 11.001 -0.154) 13.196 1.504 ( -3.348 -3.272 3.323) 5.741 1.834 ( 16.315 17.081 -0.685) 23.631 3.557 ( 1.861 3.297 -0.979) 3.910 3.839 ( 2.472 1.608 -0.252) 2.960 4.050 ( 9.030 10.949 0.505) 14.202 4.259 ( 6.887 6.670 -2.565) 9.925 4.572 ( 3.106 2.874 -1.974) 4.669 5.033 ( -7.125 -8.983 0.709) 11.488 5.528 ( -1.435 -0.493 -1.374) 2.047 6.593 ( 1.285 3.108 1.934) 3.880 7.955 ( -25.908 -30.373 2.677) 40.011======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 0.000 9.892 1.606) 10.022 1.548 ( -0.000 21.585 4.386) 22.026 1.591 ( 0.000 -5.283 -5.911) 7.928 3.508 ( -0.000 2.378 0.946) 2.560 3.825 ( -0.000 1.516 0.286) 1.543 3.854 ( 0.000 15.703 -0.116) 15.703 4.120 ( -0.000 11.848 2.752) 12.164 4.532 ( 0.000 1.931 0.324) 1.958 5.185 ( -0.000 -12.080 -0.544) 12.092 5.534 ( -0.000 -2.229 3.044) 3.773 6.530 ( 0.000 8.543 -3.811) 9.355 8.452 ( -0.000 -37.977 -1.777) 38.019======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( -0.000 -0.000 2.003) 2.003 0.968 ( -0.000 -0.000 2.003) 2.003 1.815 ( -0.000 -0.000 4.614) 4.614 3.462 ( 0.000 0.000 -0.329) 0.329 3.462 ( 0.000 0.000 -0.329) 0.329 3.802 ( 0.000 0.000 -0.519) 0.519 3.802 ( 0.000 0.000 -0.519) 0.519 4.514 ( 0.000 0.000 -2.329) 2.329 5.588 ( -0.000 0.000 0.574) 0.574 5.588 ( -0.000 0.000 0.574) 0.574 6.116 ( -0.000 -0.000 0.455) 0.455 9.333 ( -0.000 -0.000 0.199) 0.199======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 4.698 2.713 -0.194) 5.429 1.146 ( 14.500 8.372 1.601) 16.820 1.742 ( -6.677 -3.855 1.352) 7.827 3.474 ( 1.132 0.653 -0.446) 1.381 3.582 ( 9.999 5.773 0.190) 11.547 3.807 ( 0.539 0.311 -0.538) 0.823 3.902 ( 8.555 4.939 -0.407) 9.887 4.512 ( 0.389 0.224 -0.809) 0.926 5.423 ( -11.044 -6.377 1.407) 12.830 5.579 ( -1.098 -0.634 -1.783) 2.188 6.297 ( 11.759 6.789 0.950) 13.611 9.079 ( -21.980 -12.690 0.460) 25.384=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 569.629 569.629 1069.961 0.000 -0.000 0.000 3/40500 20.0 259.430 259.430 251.211 0.000 -0.000 0.000 3/40500 30.0 122.761 122.761 96.683 0.000 -0.000 0.000 3/40500 40.0 60.150 60.150 40.934 0.000 -0.000 0.000 3/40500 50.0 35.006 35.006 21.187 0.000 -0.000 0.000 3/40500 60.0 23.481 23.481 13.084 0.000 -0.000 0.000 3/40500 70.0 17.361 17.361 9.142 0.000 -0.000 0.000 3/40500 80.0 13.708 13.708 6.943 0.000 -0.000 0.000 3/40500 90.0 11.327 11.327 5.582 0.000 -0.000 0.000 3/40500 100.0 9.665 9.665 4.671 0.000 -0.000 0.000 3/40500 110.0 8.445 8.445 4.023 0.000 -0.000 0.000 3/40500 120.0 7.511 7.511 3.540 0.000 -0.000 0.000 3/40500 130.0 6.774 6.774 3.167 0.000 -0.000 0.000 3/40500 140.0 6.176 6.176 2.869 0.000 -0.000 0.000 3/40500 150.0 5.680 5.680 2.625 0.000 -0.000 0.000 3/40500 160.0 5.263 5.263 2.423 0.000 -0.000 0.000 3/40500 170.0 4.905 4.905 2.251 0.000 -0.000 0.000 3/40500 180.0 4.596 4.596 2.103 0.000 -0.000 0.000 3/40500 190.0 4.325 4.325 1.975 0.000 -0.000 0.000 3/40500 200.0 4.086 4.086 1.862 0.000 -0.000 0.000 3/40500 210.0 3.873 3.873 1.763 0.000 -0.000 0.000 3/40500 220.0 3.682 3.682 1.674 0.000 -0.000 0.000 3/40500 230.0 3.510 3.510 1.593 0.000 -0.000 0.000 3/40500 240.0 3.354 3.354 1.521 0.000 -0.000 0.000 3/40500 250.0 3.211 3.211 1.455 0.000 -0.000 0.000 3/40500 260.0 3.081 3.081 1.395 0.000 -0.000 0.000 3/40500 270.0 2.961 2.961 1.340 0.000 -0.000 0.000 3/40500 280.0 2.850 2.850 1.289 0.000 -0.000 0.000 3/40500 290.0 2.747 2.747 1.242 0.000 -0.000 0.000 3/40500 300.0 2.652 2.652 1.198 0.000 -0.000 0.000 3/40500 310.0 2.564 2.564 1.158 0.000 -0.000 0.000 3/40500 320.0 2.481 2.481 1.120 0.000 -0.000 0.000 3/40500 330.0 2.403 2.403 1.085 0.000 -0.000 0.000 3/40500 340.0 2.331 2.331 1.052 0.000 -0.000 0.000 3/40500 350.0 2.262 2.262 1.021 0.000 -0.000 0.000 3/40500 360.0 2.198 2.198 0.991 0.000 -0.000 0.000 3/40500 370.0 2.137 2.137 0.964 0.000 -0.000 0.000 3/40500 380.0 2.080 2.080 0.938 0.000 -0.000 0.000 3/40500 390.0 2.025 2.025 0.913 0.000 -0.000 0.000 3/40500 400.0 1.974 1.974 0.890 0.000 -0.000 0.000 3/40500 410.0 1.925 1.925 0.867 0.000 -0.000 0.000 3/40500 420.0 1.878 1.878 0.846 0.000 -0.000 0.000 3/40500 430.0 1.834 1.834 0.826 0.000 -0.000 0.000 3/40500 440.0 1.792 1.792 0.807 0.000 -0.000 0.000 3/40500 450.0 1.751 1.751 0.789 0.000 -0.000 0.000 3/40500 460.0 1.713 1.713 0.771 0.000 -0.000 0.000 3/40500 470.0 1.676 1.676 0.755 0.000 -0.000 0.000 3/40500 480.0 1.641 1.641 0.739 0.000 -0.000 0.000 3/40500 490.0 1.607 1.607 0.723 0.000 -0.000 0.000 3/40500 500.0 1.574 1.574 0.709 0.000 -0.000 0.000 3/40500 510.0 1.543 1.543 0.695 0.000 -0.000 0.000 3/40500 520.0 1.513 1.513 0.681 0.000 -0.000 0.000 3/40500 530.0 1.485 1.485 0.668 0.000 -0.000 0.000 3/40500 540.0 1.457 1.457 0.656 0.000 -0.000 0.000 3/40500 550.0 1.430 1.430 0.644 0.000 -0.000 0.000 3/40500 560.0 1.405 1.405 0.632 0.000 -0.000 0.000 3/40500 570.0 1.380 1.380 0.621 0.000 -0.000 0.000 3/40500 580.0 1.356 1.356 0.610 0.000 -0.000 0.000 3/40500 590.0 1.333 1.333 0.600 0.000 -0.000 0.000 3/40500 600.0 1.310 1.310 0.590 0.000 -0.000 0.000 3/40500 610.0 1.289 1.289 0.580 0.000 -0.000 0.000 3/40500 620.0 1.268 1.268 0.571 0.000 -0.000 0.000 3/40500 630.0 1.248 1.248 0.561 0.000 -0.000 0.000 3/40500 640.0 1.228 1.228 0.553 0.000 -0.000 0.000 3/40500 650.0 1.209 1.209 0.544 0.000 -0.000 0.000 3/40500 660.0 1.191 1.191 0.536 0.000 -0.000 0.000 3/40500 670.0 1.173 1.173 0.528 0.000 -0.000 0.000 3/40500 680.0 1.156 1.156 0.520 0.000 -0.000 0.000 3/40500 690.0 1.139 1.139 0.512 0.000 -0.000 0.000 3/40500 700.0 1.123 1.123 0.505 0.000 -0.000 0.000 3/40500 710.0 1.107 1.107 0.498 0.000 -0.000 0.000 3/40500 720.0 1.091 1.091 0.491 0.000 -0.000 0.000 3/40500 730.0 1.076 1.076 0.484 0.000 -0.000 0.000 3/40500 740.0 1.062 1.062 0.478 0.000 -0.000 0.000 3/40500 750.0 1.048 1.048 0.471 0.000 -0.000 0.000 3/40500 760.0 1.034 1.034 0.465 0.000 -0.000 0.000 3/40500 770.0 1.020 1.020 0.459 0.000 -0.000 0.000 3/40500 780.0 1.007 1.007 0.453 0.000 -0.000 0.000 3/40500 790.0 0.995 0.995 0.447 0.000 -0.000 0.000 3/40500 800.0 0.982 0.982 0.442 0.000 -0.000 0.000 3/40500 810.0 0.970 0.970 0.436 0.000 -0.000 0.000 3/40500 820.0 0.958 0.958 0.431 0.000 -0.000 0.000 3/40500 830.0 0.947 0.947 0.426 0.000 -0.000 0.000 3/40500 840.0 0.935 0.935 0.421 0.000 -0.000 0.000 3/40500 850.0 0.924 0.924 0.416 0.000 -0.000 0.000 3/40500 860.0 0.914 0.914 0.411 0.000 -0.000 0.000 3/40500 870.0 0.903 0.903 0.406 0.000 -0.000 0.000 3/40500 880.0 0.893 0.893 0.402 0.000 -0.000 0.000 3/40500 890.0 0.883 0.883 0.397 0.000 -0.000 0.000 3/40500 900.0 0.873 0.873 0.393 0.000 -0.000 0.000 3/40500 910.0 0.863 0.863 0.388 0.000 -0.000 0.000 3/40500 920.0 0.854 0.854 0.384 0.000 -0.000 0.000 3/40500 930.0 0.845 0.845 0.380 0.000 -0.000 0.000 3/40500 940.0 0.836 0.836 0.376 0.000 -0.000 0.000 3/40500 950.0 0.827 0.827 0.372 0.000 -0.000 0.000 3/40500 960.0 0.818 0.818 0.368 0.000 -0.000 0.000 3/40500 970.0 0.810 0.810 0.364 0.000 -0.000 0.000 3/40500 980.0 0.802 0.802 0.361 0.000 -0.000 0.000 3/40500 990.0 0.794 0.794 0.357 0.000 -0.000 0.000 3/40500 1000.0 0.786 0.786 0.353 0.000 -0.000 0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:45:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|