# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ba58bb49-1ad4-445a-ba9b-d9d12e77ec2b/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 BaHgO2 / R-3m (166) / materials id 3915](https://mdr.nims.go.jp/datasets/06374797-217b-45ee-b16a-c7f9d25daf0e) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 19:52:04]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.063694796435724 1.191474746247392 6.461199159999993 b -2.063694796435719 1.191474746247392 6.461199159999993 c 0.000000000000002 -2.382949492494788 6.461199159999993Atomic positions (fractional): *1 O 0.10189596871753 0.10189596871754 0.10189596871753 15.999 2 O 0.89810403128247 0.89810403128247 0.89810403128247 15.999 *3 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 *4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.127389592871443 0.000000000000000 0.000000000000000 b -2.063694796435721 3.574424238742181 0.000000000000000 c 0.000000000000000 0.000000000000000 19.383597479999999Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.76856263538420 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.89810403128247 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.10189596871753 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.23143736461580 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.43522930205087 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.56477069794913 15.999 > 2 *7 Ba 0.66666666666667 0.33333333333333 0.83333333333333 137.327 > 3 8 Ba 0.33333333333333 0.66666666666667 0.16666666666667 137.327 > 3 9 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 3 *10 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 4 11 Hg 0.66666666666667 0.33333333333333 0.33333333333333 200.590 > 4 12 Hg 0.33333333333333 0.66666666666667 0.66666666666667 200.590 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.382168778614329 0.000000000000000 0.000000000000000 b -6.191084389307163 10.723272716226543 0.000000000000000 c 0.000000000000000 0.000000000000000 19.383597479999999Atomic positions (fractional): *1 O 0.11111111111111 0.22222222222222 0.76856263538420 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.76856263538420 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.76856263538420 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.76856263538420 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.76856263538420 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.76856263538420 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.76856263538420 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.76856263538420 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.76856263538420 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.89810403128247 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.89810403128247 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.89810403128247 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.89810403128247 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.89810403128247 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.89810403128247 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.89810403128247 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.89810403128247 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.89810403128247 15.999 > 2 19 O 0.00000000000000 0.00000000000000 0.10189596871753 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.10189596871753 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.10189596871753 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.10189596871753 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.10189596871753 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.10189596871753 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.10189596871753 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.10189596871753 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.10189596871753 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.23143736461580 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.23143736461580 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.23143736461580 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.23143736461580 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.23143736461580 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.23143736461580 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.23143736461580 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.23143736461580 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.23143736461580 15.999 > 2 37 O 0.22222222222222 0.11111111111111 0.43522930205087 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.43522930205087 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.43522930205087 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.43522930205087 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.43522930205087 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.43522930205087 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.43522930205087 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.43522930205087 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.43522930205087 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.56477069794913 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.56477069794913 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.56477069794913 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.56477069794913 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.56477069794913 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.56477069794913 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.56477069794913 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.56477069794913 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.56477069794913 15.999 > 2 *55 Ba 0.22222222222222 0.11111111111111 0.83333333333333 137.327 > 3 56 Ba 0.55555555555556 0.11111111111111 0.83333333333333 137.327 > 3 57 Ba 0.88888888888889 0.11111111111111 0.83333333333333 137.327 > 3 58 Ba 0.22222222222222 0.44444444444444 0.83333333333333 137.327 > 3 59 Ba 0.55555555555556 0.44444444444444 0.83333333333333 137.327 > 3 60 Ba 0.88888888888889 0.44444444444444 0.83333333333333 137.327 > 3 61 Ba 0.22222222222222 0.77777777777778 0.83333333333333 137.327 > 3 62 Ba 0.55555555555556 0.77777777777778 0.83333333333333 137.327 > 3 63 Ba 0.88888888888889 0.77777777777778 0.83333333333333 137.327 > 3 64 Ba 0.11111111111111 0.22222222222222 0.16666666666667 137.327 > 3 65 Ba 0.44444444444444 0.22222222222222 0.16666666666667 137.327 > 3 66 Ba 0.77777777777778 0.22222222222222 0.16666666666667 137.327 > 3 67 Ba 0.11111111111111 0.55555555555556 0.16666666666667 137.327 > 3 68 Ba 0.44444444444444 0.55555555555556 0.16666666666667 137.327 > 3 69 Ba 0.77777777777778 0.55555555555556 0.16666666666667 137.327 > 3 70 Ba 0.11111111111111 0.88888888888889 0.16666666666667 137.327 > 3 71 Ba 0.44444444444444 0.88888888888889 0.16666666666667 137.327 > 3 72 Ba 0.77777777777778 0.88888888888889 0.16666666666667 137.327 > 3 73 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 3 74 Ba 0.33333333333333 0.00000000000000 0.50000000000000 137.327 > 3 75 Ba 0.66666666666667 0.00000000000000 0.50000000000000 137.327 > 3 76 Ba 0.00000000000000 0.33333333333333 0.50000000000000 137.327 > 3 77 Ba 0.33333333333333 0.33333333333333 0.50000000000000 137.327 > 3 78 Ba 0.66666666666667 0.33333333333333 0.50000000000000 137.327 > 3 79 Ba 0.00000000000000 0.66666666666667 0.50000000000000 137.327 > 3 80 Ba 0.33333333333333 0.66666666666667 0.50000000000000 137.327 > 3 81 Ba 0.66666666666667 0.66666666666667 0.50000000000000 137.327 > 3 *82 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 4 83 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 4 84 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 4 85 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 4 86 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 4 87 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 4 88 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 4 89 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 4 90 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 4 91 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 4 92 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 4 93 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 4 94 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 4 95 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 4 96 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 4 97 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 4 98 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 4 99 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 4 100 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 4 101 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 4 102 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 4 103 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 4 104 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 4 105 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 4 106 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 4 107 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 4 108 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.3110777 -0.0000000 0.0000000 0.0000000 3.3110777 0.0000000 0.0000000 0.0000000 4.4518179-------------------------- Born effective charges -------------------------- 1 O -1.4316842 0.0000000 0.0000000 0.0000000 -1.4316842 0.0000000 0.0000000 0.0000000 -2.8612061 2 O -1.4316842 0.0000000 0.0000000 0.0000000 -1.4316842 0.0000000 0.0000000 0.0000000 -2.8612061 3 Ba 2.7583106 -0.0000000 0.0000000 0.0000000 2.7583106 0.0000000 0.0000000 0.0000000 2.8023090 4 Hg 0.1050577 -0.0000000 0.0000000 0.0000000 0.1050577 0.0000000 0.0000000 0.0000000 2.9201032----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.005Solver_block: 80 / 80 - Time: 0.083Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.089--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 214Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 19:52:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:52:07]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.063694796435724 1.191474746247392 6.461199159999993 b -2.063694796435719 1.191474746247392 6.461199159999993 c 0.000000000000002 -2.382949492494788 6.461199159999993Atomic positions (fractional): 1 O 0.10189596871753 0.10189596871754 0.10189596871753 15.999 2 O 0.89810403128247 0.89810403128247 0.89810403128247 15.999 3 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590-------------------------------- supercell ---------------------------------Lattice vectors: a 12.382168778614329 0.000000000000000 0.000000000000000 b -6.191084389307163 10.723272716226543 0.000000000000000 c 0.000000000000000 0.000000000000000 19.383597479999999Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.76856263538420 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.76856263538420 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.76856263538420 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.76856263538420 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.76856263538420 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.76856263538420 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.76856263538420 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.76856263538420 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.76856263538420 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.89810403128247 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.89810403128247 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.89810403128247 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.89810403128247 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.89810403128247 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.89810403128247 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.89810403128247 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.89810403128247 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.89810403128247 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.10189596871753 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.10189596871753 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.10189596871753 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.10189596871753 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.10189596871753 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.10189596871753 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.10189596871753 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.10189596871753 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.10189596871753 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.23143736461580 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.23143736461580 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.23143736461580 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.23143736461580 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.23143736461580 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.23143736461580 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.23143736461580 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.23143736461580 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.23143736461580 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.43522930205087 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.43522930205087 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.43522930205087 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.43522930205087 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.43522930205087 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.43522930205087 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.43522930205087 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.43522930205087 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.43522930205087 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.56477069794913 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.56477069794913 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.56477069794913 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.56477069794913 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.56477069794913 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.56477069794913 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.56477069794913 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.56477069794913 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.56477069794913 15.999 > 10 55 Ba 0.22222222222222 0.11111111111111 0.83333333333333 137.327 > 55 56 Ba 0.55555555555556 0.11111111111111 0.83333333333333 137.327 > 55 57 Ba 0.88888888888889 0.11111111111111 0.83333333333333 137.327 > 55 58 Ba 0.22222222222222 0.44444444444444 0.83333333333333 137.327 > 55 59 Ba 0.55555555555556 0.44444444444444 0.83333333333333 137.327 > 55 60 Ba 0.88888888888889 0.44444444444444 0.83333333333333 137.327 > 55 61 Ba 0.22222222222222 0.77777777777778 0.83333333333333 137.327 > 55 62 Ba 0.55555555555556 0.77777777777778 0.83333333333333 137.327 > 55 63 Ba 0.88888888888889 0.77777777777778 0.83333333333333 137.327 > 55 64 Ba 0.11111111111111 0.22222222222222 0.16666666666667 137.327 > 55 65 Ba 0.44444444444444 0.22222222222222 0.16666666666667 137.327 > 55 66 Ba 0.77777777777778 0.22222222222222 0.16666666666667 137.327 > 55 67 Ba 0.11111111111111 0.55555555555556 0.16666666666667 137.327 > 55 68 Ba 0.44444444444444 0.55555555555556 0.16666666666667 137.327 > 55 69 Ba 0.77777777777778 0.55555555555556 0.16666666666667 137.327 > 55 70 Ba 0.11111111111111 0.88888888888889 0.16666666666667 137.327 > 55 71 Ba 0.44444444444444 0.88888888888889 0.16666666666667 137.327 > 55 72 Ba 0.77777777777778 0.88888888888889 0.16666666666667 137.327 > 55 73 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 55 74 Ba 0.33333333333333 0.00000000000000 0.50000000000000 137.327 > 55 75 Ba 0.66666666666667 0.00000000000000 0.50000000000000 137.327 > 55 76 Ba 0.00000000000000 0.33333333333333 0.50000000000000 137.327 > 55 77 Ba 0.33333333333333 0.33333333333333 0.50000000000000 137.327 > 55 78 Ba 0.66666666666667 0.33333333333333 0.50000000000000 137.327 > 55 79 Ba 0.00000000000000 0.66666666666667 0.50000000000000 137.327 > 55 80 Ba 0.33333333333333 0.66666666666667 0.50000000000000 137.327 > 55 81 Ba 0.66666666666667 0.66666666666667 0.50000000000000 137.327 > 55 82 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 82 83 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 82 84 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 82 85 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 82 86 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 82 87 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 82 88 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 82 89 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 82 90 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 82 91 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 82 92 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 82 93 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 82 94 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 82 95 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 82 96 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 82 97 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 82 98 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 82 99 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 82 100 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 82 101 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 82 102 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 82 103 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 82 104 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 82 105 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 82 106 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 82 107 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 82 108 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.3110777 -0.0000000 0.0000000 0.0000000 3.3110777 0.0000000 0.0000000 0.0000000 4.4518179-------------------------- Born effective charges -------------------------- 1 O -1.4316842 0.0000000 0.0000000 0.0000000 -1.4316842 0.0000000 0.0000000 0.0000000 -2.8612061 2 O -1.4316842 0.0000000 0.0000000 0.0000000 -1.4316842 0.0000000 0.0000000 0.0000000 -2.8612061 3 Ba 2.7583106 -0.0000000 0.0000000 0.0000000 2.7583106 0.0000000 0.0000000 0.0000000 2.8023090 4 Hg 0.1050577 -0.0000000 0.0000000 0.0000000 0.1050577 0.0000000 0.0000000 0.0000000 2.9201032----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 19:52:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:52:11]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.063694796435724 1.191474746247392 6.461199159999993 b -2.063694796435719 1.191474746247392 6.461199159999993 c 0.000000000000002 -2.382949492494788 6.461199159999993Atomic positions (fractional): 1 O 0.10189596871753 0.10189596871754 0.10189596871753 15.999 2 O 0.89810403128247 0.89810403128247 0.89810403128247 15.999 3 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 4 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590-------------------------------- supercell ---------------------------------Lattice vectors: a 12.382168778614329 0.000000000000000 0.000000000000000 b -6.191084389307163 10.723272716226543 0.000000000000000 c 0.000000000000000 0.000000000000000 19.383597479999999Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.76856263538420 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.76856263538420 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.76856263538420 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.76856263538420 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.76856263538420 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.76856263538420 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.76856263538420 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.76856263538420 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.76856263538420 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.89810403128247 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.89810403128247 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.89810403128247 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.89810403128247 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.89810403128247 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.89810403128247 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.89810403128247 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.89810403128247 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.89810403128247 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.10189596871753 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.10189596871753 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.10189596871753 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.10189596871753 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.10189596871753 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.10189596871753 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.10189596871753 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.10189596871753 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.10189596871753 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.23143736461580 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.23143736461580 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.23143736461580 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.23143736461580 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.23143736461580 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.23143736461580 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.23143736461580 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.23143736461580 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.23143736461580 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.43522930205087 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.43522930205087 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.43522930205087 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.43522930205087 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.43522930205087 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.43522930205087 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.43522930205087 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.43522930205087 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.43522930205087 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.56477069794913 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.56477069794913 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.56477069794913 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.56477069794913 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.56477069794913 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.56477069794913 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.56477069794913 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.56477069794913 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.56477069794913 15.999 > 10 55 Ba 0.22222222222222 0.11111111111111 0.83333333333333 137.327 > 55 56 Ba 0.55555555555556 0.11111111111111 0.83333333333333 137.327 > 55 57 Ba 0.88888888888889 0.11111111111111 0.83333333333333 137.327 > 55 58 Ba 0.22222222222222 0.44444444444444 0.83333333333333 137.327 > 55 59 Ba 0.55555555555556 0.44444444444444 0.83333333333333 137.327 > 55 60 Ba 0.88888888888889 0.44444444444444 0.83333333333333 137.327 > 55 61 Ba 0.22222222222222 0.77777777777778 0.83333333333333 137.327 > 55 62 Ba 0.55555555555556 0.77777777777778 0.83333333333333 137.327 > 55 63 Ba 0.88888888888889 0.77777777777778 0.83333333333333 137.327 > 55 64 Ba 0.11111111111111 0.22222222222222 0.16666666666667 137.327 > 55 65 Ba 0.44444444444444 0.22222222222222 0.16666666666667 137.327 > 55 66 Ba 0.77777777777778 0.22222222222222 0.16666666666667 137.327 > 55 67 Ba 0.11111111111111 0.55555555555556 0.16666666666667 137.327 > 55 68 Ba 0.44444444444444 0.55555555555556 0.16666666666667 137.327 > 55 69 Ba 0.77777777777778 0.55555555555556 0.16666666666667 137.327 > 55 70 Ba 0.11111111111111 0.88888888888889 0.16666666666667 137.327 > 55 71 Ba 0.44444444444444 0.88888888888889 0.16666666666667 137.327 > 55 72 Ba 0.77777777777778 0.88888888888889 0.16666666666667 137.327 > 55 73 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 55 74 Ba 0.33333333333333 0.00000000000000 0.50000000000000 137.327 > 55 75 Ba 0.66666666666667 0.00000000000000 0.50000000000000 137.327 > 55 76 Ba 0.00000000000000 0.33333333333333 0.50000000000000 137.327 > 55 77 Ba 0.33333333333333 0.33333333333333 0.50000000000000 137.327 > 55 78 Ba 0.66666666666667 0.33333333333333 0.50000000000000 137.327 > 55 79 Ba 0.00000000000000 0.66666666666667 0.50000000000000 137.327 > 55 80 Ba 0.33333333333333 0.66666666666667 0.50000000000000 137.327 > 55 81 Ba 0.66666666666667 0.66666666666667 0.50000000000000 137.327 > 55 82 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 82 83 Hg 0.33333333333333 0.00000000000000 0.00000000000000 200.590 > 82 84 Hg 0.66666666666667 0.00000000000000 0.00000000000000 200.590 > 82 85 Hg 0.00000000000000 0.33333333333333 0.00000000000000 200.590 > 82 86 Hg 0.33333333333333 0.33333333333333 0.00000000000000 200.590 > 82 87 Hg 0.66666666666667 0.33333333333333 0.00000000000000 200.590 > 82 88 Hg 0.00000000000000 0.66666666666667 0.00000000000000 200.590 > 82 89 Hg 0.33333333333333 0.66666666666667 0.00000000000000 200.590 > 82 90 Hg 0.66666666666667 0.66666666666667 0.00000000000000 200.590 > 82 91 Hg 0.22222222222222 0.11111111111111 0.33333333333333 200.590 > 82 92 Hg 0.55555555555556 0.11111111111111 0.33333333333333 200.590 > 82 93 Hg 0.88888888888889 0.11111111111111 0.33333333333333 200.590 > 82 94 Hg 0.22222222222222 0.44444444444444 0.33333333333333 200.590 > 82 95 Hg 0.55555555555556 0.44444444444444 0.33333333333333 200.590 > 82 96 Hg 0.88888888888889 0.44444444444444 0.33333333333333 200.590 > 82 97 Hg 0.22222222222222 0.77777777777778 0.33333333333333 200.590 > 82 98 Hg 0.55555555555556 0.77777777777778 0.33333333333333 200.590 > 82 99 Hg 0.88888888888889 0.77777777777778 0.33333333333333 200.590 > 82 100 Hg 0.11111111111111 0.22222222222222 0.66666666666667 200.590 > 82 101 Hg 0.44444444444444 0.22222222222222 0.66666666666667 200.590 > 82 102 Hg 0.77777777777778 0.22222222222222 0.66666666666667 200.590 > 82 103 Hg 0.11111111111111 0.55555555555556 0.66666666666667 200.590 > 82 104 Hg 0.44444444444444 0.55555555555556 0.66666666666667 200.590 > 82 105 Hg 0.77777777777778 0.55555555555556 0.66666666666667 200.590 > 82 106 Hg 0.11111111111111 0.88888888888889 0.66666666666667 200.590 > 82 107 Hg 0.44444444444444 0.88888888888889 0.66666666666667 200.590 > 82 108 Hg 0.77777777777778 0.88888888888889 0.66666666666667 200.590 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.3110777 -0.0000000 0.0000000 0.0000000 3.3110777 0.0000000 0.0000000 0.0000000 4.4518179-------------------------- Born effective charges -------------------------- 1 O -1.4316842 0.0000000 0.0000000 0.0000000 -1.4316842 0.0000000 0.0000000 0.0000000 -2.8612061 2 O -1.4316842 0.0000000 0.0000000 0.0000000 -1.4316842 0.0000000 0.0000000 0.0000000 -2.8612061 3 Ba 2.7583106 -0.0000000 0.0000000 0.0000000 2.7583106 0.0000000 0.0000000 0.0000000 2.8023090 4 Hg 0.1050577 -0.0000000 0.0000000 0.0000000 0.1050577 0.0000000 0.0000000 0.0000000 2.9201032----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.91, Number of G-points: 299, Lambda: 0.18Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 18.145 ( 0.000 0.000 0.000) 0.000 19.144 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.240 ( 7.947 4.588 19.093) 21.184 0.277 ( 11.501 6.640 4.407) 13.993 0.598 ( 23.713 13.691 4.576) 27.762 2.289 ( -0.185 -0.107 -3.885) 3.891 2.610 ( 6.365 3.675 -6.325) 9.696 3.798 ( -5.837 -3.370 14.071) 15.602 6.148 ( -1.207 -0.697 -6.462) 6.611 6.174 ( -0.111 -0.064 0.928) 0.937 7.030 ( 2.161 1.248 5.825) 6.337 9.431 ( 11.078 6.396 -66.454) 67.674 18.304 ( -10.155 -5.863 67.738) 68.745 19.123 ( -3.243 -1.872 8.949) 9.701======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.515 ( 10.035 5.794 17.840) 21.273 0.565 ( 11.783 6.803 5.987) 14.865 1.094 ( 17.244 9.956 4.280) 20.367 2.264 ( -0.075 -0.043 -7.428) 7.429 2.811 ( 12.703 7.334 -2.412) 14.865 3.678 ( -7.677 -4.432 5.988) 10.698 6.071 ( -2.723 -1.572 -10.474) 10.936 6.173 ( -0.454 -0.262 1.671) 1.751 7.134 ( 4.316 2.492 9.245) 10.503 9.448 ( 6.273 3.622 -32.937) 33.724 18.329 ( -2.042 -1.179 22.344) 22.468 19.061 ( -5.810 -3.354 14.987) 16.420======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 11.929 6.887 15.479) 20.721 0.861 ( 11.421 6.594 8.170) 15.513 1.413 ( 9.216 5.321 4.764) 11.660 2.234 ( 0.323 0.187 -10.469) 10.475 3.168 ( 17.754 10.250 -1.035) 20.526 3.496 ( -8.802 -5.082 1.666) 10.300 5.948 ( -4.256 -2.457 -11.509) 12.515 6.164 ( -0.935 -0.540 2.335) 2.572 7.291 ( 6.007 3.468 9.880) 12.072 9.478 ( 4.884 2.820 -20.580) 21.338 18.372 ( 1.039 0.600 6.808) 6.913 18.971 ( -6.892 -3.979 17.122) 18.882======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 9.911 5.722 10.363) 15.439 1.171 ( 13.079 7.551 11.005) 18.687 1.578 ( 3.837 2.215 7.241) 8.488 2.203 ( 0.731 0.422 -12.786) 12.814 3.232 ( -10.880 -6.282 -0.402) 12.570 3.637 ( 19.072 11.011 -2.453) 22.159 5.797 ( -5.136 -2.965 -10.264) 11.854 6.149 ( -1.206 -0.696 3.000) 3.307 7.473 ( 6.607 3.814 8.585) 11.485 9.520 ( 4.103 2.369 -13.207) 14.031 18.417 ( 1.333 0.770 1.039) 1.857 18.883 ( -5.661 -3.269 15.607) 16.921======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 7.280 4.203 11.388) 14.155 1.495 ( 12.131 7.004 -1.305) 14.068 1.680 ( 2.564 1.481 17.303) 17.555 2.173 ( 0.816 0.471 -13.423) 13.456 2.951 ( -12.426 -7.174 -4.053) 14.910 4.036 ( 15.412 8.898 -2.314) 17.946 5.647 ( -4.737 -2.735 -7.535) 9.310 6.134 ( -1.006 -0.581 3.219) 3.423 7.646 ( 5.693 3.287 6.201) 9.037 9.567 ( 3.167 1.828 -7.916) 8.720 18.432 ( -0.326 -0.188 0.299) 0.481 18.837 ( -2.514 -1.451 10.764) 11.149======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 3.883 2.242 8.697) 9.785 1.636 ( 2.719 1.570 -5.038) 5.937 1.914 ( 10.314 5.955 18.334) 21.863 2.144 ( 0.477 0.275 -9.882) 9.898 2.640 ( -12.357 -7.134 -7.293) 16.024 4.306 ( 8.278 4.779 -1.582) 9.688 5.536 ( -2.864 -1.653 -3.950) 5.152 6.127 ( -0.487 -0.281 2.226) 2.296 7.769 ( 3.303 1.907 3.233) 5.000 9.603 ( 1.771 1.023 -3.717) 4.243 18.414 ( -0.999 -0.577 0.667) 1.333 18.836 ( -0.392 -0.226 4.969) 4.989======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 -0.000) 0.000 2.129 ( 0.000 0.000 -0.000) 0.000 2.150 ( 0.000 0.000 -0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 -0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 18.402 ( 0.000 0.000 0.000) 0.000 18.843 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.249 ( 0.000 12.856 -0.489) 12.865 0.267 ( 0.000 5.986 19.663) 20.554 0.679 ( 0.000 26.421 18.648) 32.340 2.311 ( 0.000 1.207 -0.008) 1.208 2.540 ( -0.000 8.427 -15.935) 18.026 3.874 ( 0.000 -12.147 22.483) 25.555 6.155 ( -0.000 0.349 -5.261) 5.273 6.183 ( 0.000 0.731 1.956) 2.088 7.021 ( 0.000 0.836 4.282) 4.363 9.112 ( -0.000 36.042 -98.428) 104.819 18.601 ( 0.000 -35.138 81.697) 88.933 19.187 ( 0.000 -8.251 30.776) 31.863======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( 7.014 5.051 16.940) 19.018 0.522 ( 11.014 10.703 3.809) 15.823 1.063 ( 7.019 20.611 16.501) 27.320 2.284 ( -3.160 2.823 -4.789) 6.395 2.675 ( 9.608 8.960 -9.345) 16.122 3.768 ( -5.861 -8.838 10.873) 15.188 6.104 ( -3.769 2.335 -9.297) 10.300 6.193 ( -0.981 0.609 4.682) 4.822 7.098 ( 4.798 0.286 7.695) 9.073 9.210 ( 9.622 14.856 -55.414) 58.173 18.474 ( -6.695 -11.262 32.441) 34.987 19.172 ( -4.116 -8.154 27.943) 29.398======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( 10.439 3.631 16.245) 19.648 0.844 ( 11.102 11.838 3.753) 16.658 1.398 ( 5.445 12.328 14.300) 19.650 2.241 ( -2.794 4.135 -8.915) 10.217 2.973 ( 15.641 11.799 -5.165) 20.262 3.588 ( -7.988 -8.459 4.111) 12.339 6.011 ( -6.082 3.816 -11.128) 13.243 6.195 ( -1.652 -0.005 6.960) 7.153 7.236 ( 6.815 0.721 9.273) 11.531 9.304 ( 8.145 6.683 -34.154) 35.742 18.414 ( -2.216 -2.197 11.254) 11.679 19.097 ( -5.781 -8.405 23.920) 26.004======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 12.300 2.796 13.599) 18.548 1.156 ( 9.762 11.104 2.976) 15.081 1.607 ( 2.235 6.729 14.271) 15.936 2.208 ( -2.569 6.166 -11.311) 13.136 3.333 ( -4.112 -2.703 1.727) 5.215 3.409 ( 13.388 6.373 -5.654) 15.869 5.891 ( -7.999 4.960 -10.359) 13.996 6.187 ( -2.217 -0.721 8.689) 8.996 7.409 ( 7.740 1.634 8.404) 11.542 9.381 ( 7.195 3.217 -22.423) 23.768 18.419 ( 0.167 0.557 3.085) 3.139 18.992 ( -5.706 -7.963 19.277) 21.623======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( 12.125 1.585 10.391) 16.047 1.410 ( 7.864 7.536 -0.825) 10.923 1.743 ( 1.457 4.385 16.287) 16.930 2.195 ( -2.938 9.237 -10.999) 14.660 3.071 ( -11.590 -7.916 -3.869) 14.559 3.820 ( 18.152 9.296 -3.318) 20.662 5.765 ( -8.996 6.348 -7.816) 13.502 6.170 ( -2.293 -1.428 9.522) 9.898 7.587 ( 7.119 2.282 6.084) 9.639 9.453 ( 6.505 0.953 -14.478) 15.900 18.435 ( 0.018 0.308 0.668) 0.735 18.899 ( -3.560 -6.073 13.427) 15.161======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( 8.524 -0.557 5.431) 10.122 1.563 ( 4.807 3.011 -3.331) 6.578 1.893 ( 5.309 3.455 13.974) 15.343 2.211 ( -3.882 11.535 -5.017) 13.164 2.769 ( -12.611 -5.494 -7.324) 15.583 4.156 ( 13.223 4.775 -2.455) 14.272 5.660 ( -8.585 8.168 -4.206) 12.574 6.151 ( -1.840 -2.011 8.940) 9.346 7.732 ( 4.820 2.078 3.010) 6.051 9.516 ( 5.562 -0.907 -8.568) 10.255 18.425 ( -0.942 -0.962 0.556) 1.456 18.851 ( -0.891 -3.651 6.920) 7.875======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 3.175 -3.129 -3.342) 5.571 1.629 ( 2.056 0.696 -0.855) 2.333 2.090 ( 7.841 3.676 6.509) 10.834 2.216 ( -5.967 2.305 1.275) 6.522 2.521 ( -9.795 5.846 -5.449) 12.642 4.342 ( 6.130 -0.292 -1.167) 6.247 5.609 ( -6.760 10.154 -0.175) 12.200 6.132 ( -1.132 -2.316 6.892) 7.358 7.807 ( 1.362 0.779 -0.375) 1.613 9.561 ( 4.159 -2.389 -3.978) 6.231 18.400 ( -0.454 -1.107 0.104) 1.201 18.832 ( 0.105 -2.480 1.484) 2.892======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( -0.910 -5.199 -9.139) 10.553 1.650 ( 0.325 -0.025 -0.056) 0.331 2.004 ( -11.755 -5.816 -8.049) 15.388 2.241 ( 0.497 6.807 5.671) 8.874 2.585 ( 4.097 11.090 5.528) 13.052 4.350 ( -1.937 -5.106 0.180) 5.464 5.631 ( -4.102 11.684 3.687) 12.921 6.118 ( -0.334 -2.118 4.360) 4.859 7.789 ( -2.263 -1.361 -3.676) 4.526 9.582 ( 2.441 -3.275 -0.278) 4.094 18.396 ( 0.944 -0.219 -0.610) 1.145 18.808 ( 0.035 -2.318 -2.943) 3.746======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( -4.536 -7.607 -12.142) 15.029 1.636 ( -3.331 -2.513 6.389) 7.631 1.709 ( -11.543 -0.029 -17.096) 20.629 2.300 ( -4.166 6.779 9.638) 12.498 2.832 ( 10.330 7.506 4.056) 13.398 4.176 ( -10.025 -8.999 0.802) 13.495 5.723 ( -1.528 12.090 6.828) 13.968 6.114 ( 0.531 -1.467 2.640) 3.066 7.680 ( -5.024 -3.634 -6.490) 8.976 9.581 ( 0.804 -3.389 2.895) 4.529 18.421 ( 1.438 0.651 -0.149) 1.585 18.770 ( 0.757 -2.093 -7.485) 7.809======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -7.680 -9.715 -12.759) 17.781 1.398 ( -15.500 0.405 -6.950) 16.992 1.613 ( -2.921 0.168 -3.515) 4.573 2.317 ( -4.645 4.815 10.536) 12.480 3.098 ( 11.367 5.527 1.377) 12.714 3.843 ( -16.469 -10.989 0.538) 19.806 5.859 ( 0.202 10.993 8.666) 13.999 6.126 ( 1.107 -0.854 2.016) 2.453 7.507 ( -6.282 -5.154 -8.364) 11.661 9.568 ( -0.399 -2.780 5.871) 6.508 18.438 ( -0.959 0.297 1.204) 1.568 18.757 ( 4.160 -0.730 -11.705) 12.444======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( -9.581 -9.169 -12.276) 18.071 1.104 ( -16.801 1.616 -6.822) 18.205 1.518 ( -6.944 -1.323 -1.159) 7.163 2.320 ( -3.602 3.069 8.732) 9.932 3.317 ( 3.221 1.830 -1.055) 3.852 3.441 ( -11.876 -7.926 0.289) 14.281 6.000 ( 0.876 8.404 8.490) 11.978 6.146 ( 1.085 -0.618 1.782) 2.176 7.314 ( -5.992 -5.149 -8.588) 11.670 9.559 ( -1.050 -1.757 8.615) 8.855 18.394 ( -3.606 -0.666 -1.150) 3.843 18.819 ( 7.330 0.911 -11.034) 13.278======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.543 ( -10.243 -6.329 -9.766) 15.503 0.801 ( -17.119 0.799 -4.070) 17.614 1.317 ( -14.352 -2.445 -0.303) 14.562 2.319 ( -2.185 1.616 5.096) 5.775 3.001 ( -16.833 -5.380 -0.498) 17.679 3.552 ( 9.075 1.795 -1.431) 9.361 6.108 ( 0.850 4.711 5.583) 7.354 6.160 ( 0.707 -0.725 1.144) 1.528 7.149 ( -4.703 -3.224 -5.990) 8.270 9.562 ( -1.099 -0.716 9.583) 9.672 18.305 ( -4.106 -0.694 -5.296) 6.737 18.929 ( 7.444 1.055 -6.431) 9.894======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.308 ( -9.995 0.000 0.000) 9.995 0.507 ( -16.114 0.000 0.000) 16.114 0.972 ( -23.123 0.000 0.000) 23.123 2.310 ( -0.945 0.000 0.000) 0.945 2.734 ( -10.582 0.000 0.000) 10.582 3.695 ( 6.581 -0.000 -0.000) 6.581 6.159 ( 0.590 -0.000 -0.000) 0.590 6.164 ( 0.566 -0.000 -0.000) 0.566 7.052 ( -3.223 0.000 0.000) 3.223 9.569 ( -0.582 0.000 0.000) 0.582 18.215 ( -3.796 0.000 0.000) 3.796 19.039 ( 5.751 -0.000 -0.000) 5.751======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( 0.000 12.452 0.808) 12.478 0.522 ( 0.000 5.022 18.726) 19.388 1.297 ( 0.000 19.854 19.861) 28.083 2.347 ( -0.000 2.520 -0.285) 2.536 2.646 ( -0.000 14.690 -14.931) 20.946 3.755 ( 0.000 -11.531 9.209) 14.757 6.126 ( -0.000 1.427 -6.354) 6.512 6.257 ( 0.000 3.652 7.784) 8.598 7.075 ( 0.000 0.800 4.884) 4.949 9.092 ( -0.000 17.230 -52.114) 54.889 18.508 ( 0.000 -11.471 21.070) 23.990 19.218 ( 0.000 -12.722 32.366) 34.776======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 4.981 4.301 17.446) 18.646 0.751 ( 11.211 10.385 0.907) 15.309 1.546 ( 0.982 12.841 17.743) 21.924 2.333 ( -3.908 5.439 -3.945) 7.773 2.857 ( 9.799 17.214 -10.186) 22.274 3.620 ( -4.819 -11.371 4.729) 13.225 6.097 ( -2.877 3.116 -7.417) 8.544 6.302 ( -3.731 4.758 11.487) 12.981 7.152 ( 5.674 0.011 6.050) 8.294 9.122 ( 5.943 10.741 -40.472) 42.292 18.459 ( -1.871 -4.543 10.097) 11.229 19.165 ( -3.311 -13.379 27.320) 30.600======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( 8.674 2.415 14.768) 17.296 1.063 ( 12.339 8.903 0.098) 15.216 1.712 ( 0.549 6.431 14.277) 15.668 2.320 ( -3.863 9.684 -6.124) 12.092 3.210 ( 14.426 14.851 -6.696) 21.760 3.412 ( -7.570 -9.321 1.122) 12.061 6.038 ( -5.357 5.417 -8.656) 11.531 6.313 ( -5.843 4.598 14.505) 16.300 7.302 ( 8.500 -0.128 7.132) 11.096 9.193 ( 7.622 5.501 -30.092) 31.526 18.439 ( -0.699 -0.264 3.745) 3.819 19.053 ( -4.426 -12.792 21.072) 25.045======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 10.749 0.721 9.312) 14.240 1.329 ( 9.285 5.868 0.404) 10.991 1.811 ( 0.775 2.742 10.477) 10.857 2.353 ( -3.730 13.794 -4.609) 15.014 3.152 ( -8.611 -9.117 -4.764) 13.415 3.610 ( 15.343 12.174 -2.858) 19.793 5.963 ( -7.000 7.778 -8.539) 13.506 6.299 ( -7.123 3.728 16.768) 18.595 7.485 ( 9.067 0.688 6.167) 10.988 9.269 ( 7.971 1.601 -21.451) 22.940 18.445 ( -0.300 0.629 0.960) 1.186 18.929 ( -3.427 -10.804 14.747) 18.599======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 10.301 -1.537 1.926) 10.591 1.502 ( 5.635 2.553 1.312) 6.324 1.891 ( 2.681 1.934 7.178) 7.902 2.410 ( -4.837 11.920 -0.614) 12.879 2.905 ( -9.881 -1.660 -7.392) 12.451 3.952 ( 14.279 5.667 -2.431) 15.553 5.897 ( -7.522 10.320 -7.222) 14.671 6.266 ( -7.641 2.596 17.871) 19.609 7.659 ( 7.279 1.389 3.575) 8.227 9.341 ( 7.892 -1.667 -14.282) 16.402 18.436 ( -1.180 -0.718 0.457) 1.454 18.840 ( -0.973 -7.490 8.195) 11.144======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 6.464 -4.159 -5.402) 9.395 1.594 ( 2.990 0.632 1.214) 3.288 2.019 ( 6.704 3.053 6.148) 9.596 2.349 ( -8.374 -2.082 -0.666) 8.655 2.781 ( -8.994 15.098 -4.806) 18.220 4.184 ( 10.291 -0.724 -1.856) 10.482 5.863 ( -6.861 12.703 -5.302) 15.380 6.222 ( -7.358 1.618 17.619) 19.162 7.774 ( 3.548 0.900 0.046) 3.661 9.403 ( 7.450 -4.081 -8.425) 11.964 18.401 ( -1.226 -1.617 0.326) 2.055 18.798 ( 0.520 -4.914 2.581) 5.575======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 1.925 -6.011 -9.410) 11.331 1.637 ( 1.339 0.233 0.101) 1.363 2.124 ( -10.661 -5.400 -3.704) 12.511 2.217 ( 8.771 3.894 5.488) 11.055 2.807 ( -8.065 18.713 0.629) 20.386 4.272 ( 4.220 -5.910 -1.107) 7.346 5.876 ( -5.152 13.995 -3.528) 15.324 6.179 ( -6.417 1.310 16.476) 17.730 7.791 ( -0.825 -1.124 -3.609) 3.869 9.455 ( 6.420 -5.089 -3.838) 9.047 18.378 ( 0.235 -0.890 -0.232) 0.950 18.766 ( 0.329 -3.980 -1.337) 4.212======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( -2.299 -6.905 -10.979) 13.172 1.651 ( 0.132 -0.015 0.264) 0.295 1.872 ( -11.725 -2.472 -5.040) 13.000 2.409 ( 4.985 5.054 4.778) 8.557 2.870 ( -3.616 13.752 2.820) 14.497 4.202 ( -3.247 -9.126 -0.564) 9.703 5.934 ( -2.727 13.077 -2.669) 13.623 6.153 ( -5.144 1.958 15.324) 16.282 7.700 ( -4.361 -3.794 -6.387) 8.614 9.495 ( 4.827 -4.583 -0.553) 6.679 18.395 ( 2.027 0.571 -0.114) 2.108 18.716 ( -0.354 -3.758 -4.366) 5.771======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( -6.439 -6.576 -9.946) 13.551 1.626 ( -10.762 -2.693 4.985) 12.163 1.647 ( -3.454 2.841 -9.793) 10.766 2.496 ( -3.527 5.885 5.363) 8.709 2.999 ( 5.579 6.903 1.751) 9.047 3.980 ( -10.952 -9.558 -0.477) 14.544 6.013 ( -0.146 9.292 -2.943) 9.748 6.154 ( -4.049 3.139 14.028) 14.934 7.533 ( -6.244 -5.316 -7.303) 10.981 9.527 ( 3.131 -3.064 1.520) 4.637 18.451 ( 1.925 1.857 2.134) 3.421 18.654 ( 0.620 -3.499 -7.661) 8.445======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( -9.626 -4.363 -6.439) 12.376 1.381 ( -15.129 0.812 -2.701) 15.390 1.601 ( -3.675 -0.016 -0.590) 3.722 2.468 ( -6.215 3.379 4.176) 8.214 3.192 ( 9.925 2.960 0.303) 10.361 3.649 ( -16.962 -6.573 -0.507) 18.198 6.083 ( 1.531 4.125 -2.602) 5.112 6.169 ( -3.021 2.808 9.617) 10.464 7.347 ( -6.486 -4.003 -5.295) 9.280 9.555 ( 1.737 -1.301 2.210) 3.097 18.463 ( -3.828 0.580 2.154) 4.431 18.662 ( 6.823 -1.088 -6.561) 9.528======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( -11.155 0.000 0.000) 11.155 1.099 ( -17.118 0.000 0.000) 17.118 1.501 ( -8.104 0.000 0.000) 8.104 2.397 ( -4.562 0.000 0.000) 4.562 3.290 ( -19.368 0.000 0.000) 19.368 3.388 ( 10.446 -0.000 -0.000) 10.446 6.128 ( 1.644 -0.000 -0.000) 1.644 6.163 ( -1.428 0.000 0.000) 1.428 7.209 ( -5.701 0.000 0.000) 5.701 9.574 ( 0.611 -0.000 -0.000) 0.611 18.381 ( -5.319 0.000 0.000) 5.319 18.784 ( 8.266 -0.000 -0.000) 8.266======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( 0.000 2.391 16.097) 16.274 0.746 ( 0.000 10.489 1.503) 10.596 1.703 ( 0.000 7.538 14.414) 16.266 2.407 ( -0.000 3.783 -0.734) 3.854 2.940 ( -0.000 23.370 -11.117) 25.879 3.557 ( 0.000 -11.874 3.236) 12.307 6.126 ( -0.000 2.494 -4.170) 4.859 6.454 ( 0.000 7.051 16.394) 17.846 7.117 ( 0.000 0.478 2.815) 2.856 9.032 ( -0.000 10.482 -38.802) 40.193 18.465 ( 0.000 -2.957 6.352) 7.007 19.141 ( 0.000 -16.113 24.950) 29.701======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( 4.390 0.450 13.848) 14.534 0.946 ( 9.985 8.300 0.788) 13.008 1.800 ( 0.061 3.156 9.866) 10.359 2.437 ( -0.948 6.456 -1.601) 6.719 3.159 ( 4.577 12.006 -8.675) 15.503 3.445 ( -2.916 -1.552 1.693) 3.712 6.120 ( -2.327 3.170 -3.625) 5.348 6.551 ( -5.228 8.580 18.896) 21.400 7.186 ( 6.191 -0.164 3.678) 7.203 9.032 ( 4.465 7.606 -33.499) 34.641 18.460 ( -0.483 -0.194 3.049) 3.093 19.040 ( -2.134 -16.293 19.851) 25.770======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 7.818 -1.474 8.516) 11.654 1.210 ( 11.007 5.338 1.239) 12.296 1.850 ( 0.289 0.966 5.956) 6.040 2.506 ( -0.236 9.897 -1.000) 9.950 3.119 ( -2.004 -10.586 -6.865) 12.775 3.577 ( 4.504 17.187 -1.127) 17.803 6.085 ( -3.962 3.855 -3.813) 6.716 6.592 ( -8.810 10.308 19.261) 23.555 7.341 ( 9.636 -0.405 5.420) 11.063 9.076 ( 6.500 3.788 -26.823) 27.858 18.465 ( -0.553 1.038 0.942) 1.507 18.906 ( -2.313 -14.510 14.263) 20.477======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 9.384 -3.414 1.952) 10.175 1.418 ( 7.712 2.458 1.770) 8.285 1.888 ( 1.567 0.673 3.713) 4.086 2.571 ( -3.503 5.100 0.495) 6.207 2.983 ( -1.574 0.079 -7.751) 7.909 3.816 ( 7.386 9.505 -1.679) 12.154 6.039 ( -4.234 4.207 -3.805) 7.078 6.598 ( -11.608 11.971 19.560) 25.703 7.533 ( 9.809 0.279 4.790) 10.920 9.127 ( 7.441 -0.570 -19.951) 21.301 18.457 ( -1.527 0.072 0.353) 1.569 18.793 ( -0.540 -10.847 8.444) 13.756======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 8.237 -5.233 -4.159) 10.608 1.543 ( 4.454 0.740 1.378) 4.720 1.962 ( 4.638 1.375 3.572) 6.014 2.453 ( -8.083 -4.928 -1.261) 9.550 3.036 ( -1.820 16.619 -4.538) 17.323 3.996 ( 8.409 0.034 -1.814) 8.603 6.001 ( -3.228 4.074 -3.577) 6.310 6.577 ( -13.776 13.490 19.568) 27.471 7.697 ( 6.580 0.469 1.766) 6.829 9.177 ( 8.454 -4.382 -13.333) 16.385 18.417 ( -2.217 -1.350 0.642) 2.673 18.734 ( 1.248 -6.924 3.047) 7.667======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 4.861 -6.063 -7.634) 10.894 1.608 ( 2.402 0.247 0.463) 2.459 2.103 ( 7.992 1.494 3.039) 8.679 2.242 ( -9.081 -4.477 -1.341) 10.213 3.145 ( -6.690 20.193 -1.482) 21.324 4.092 ( 7.534 -7.201 -1.683) 10.557 5.984 ( -1.503 3.353 -3.248) 4.904 6.538 ( -14.769 14.289 18.512) 27.658 7.764 ( 1.391 -1.203 -2.449) 3.062 9.240 ( 9.246 -5.881 -7.256) 13.142 18.375 ( -1.125 -1.014 0.373) 1.560 18.705 ( 1.252 -4.815 -0.361) 4.988======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 0.812 -5.363 -7.758) 9.466 1.641 ( 1.145 0.123 0.073) 1.154 2.021 ( -9.870 -2.590 -2.110) 10.420 2.307 ( 10.028 1.881 3.027) 10.642 3.178 ( -10.595 16.590 0.514) 19.691 4.100 ( 3.720 -9.547 -1.267) 10.324 5.991 ( 0.292 2.247 -2.675) 3.506 6.488 ( -14.022 12.968 15.427) 24.552 7.706 ( -3.111 -3.684 -5.338) 7.194 9.325 ( 8.595 -4.668 -2.716) 10.151 18.370 ( 1.057 0.180 0.139) 1.081 18.671 ( 0.076 -3.655 -2.102) 4.217======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( -3.438 -3.299 -5.016) 6.918 1.652 ( 0.071 -0.009 0.169) 0.183 1.820 ( -10.763 -0.560 -1.622) 10.899 2.499 ( 8.069 1.551 1.647) 8.380 3.125 ( -9.157 8.213 1.036) 12.344 4.021 ( -3.167 -6.435 -0.667) 7.203 6.017 ( 1.644 1.147 -1.636) 2.587 6.419 ( -11.485 7.888 9.249) 16.723 7.568 ( -5.672 -3.695 -4.564) 8.164 9.417 ( 6.562 -2.230 -0.331) 6.939 18.418 ( 3.612 1.136 0.685) 3.848 18.617 ( -1.620 -2.563 -2.696) 4.057======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( -7.308 0.000 0.000) 7.308 1.617 ( -12.407 0.000 0.000) 12.407 1.642 ( -1.355 0.000 0.000) 1.355 2.578 ( -1.531 0.000 0.000) 1.531 3.091 ( 2.015 -0.000 -0.000) 2.015 3.862 ( -11.097 0.000 0.000) 11.097 6.055 ( 2.266 -0.000 -0.000) 2.266 6.309 ( -7.744 0.000 0.000) 7.744 7.429 ( -6.608 0.000 0.000) 6.608 9.499 ( 4.140 -0.000 -0.000) 4.140 18.518 ( 6.376 -0.000 -0.000) 6.376 18.547 ( -3.773 0.000 0.000) 3.773======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 0.000 -1.997 11.595) 11.765 0.934 ( 0.000 7.191 1.168) 7.285 1.848 ( 0.000 0.860 5.951) 6.012 2.484 ( -0.000 4.425 -1.028) 4.543 3.137 ( -0.000 -5.841 -6.907) 9.046 3.546 ( 0.000 16.613 -0.077) 16.613 6.162 ( -0.000 2.874 -1.033) 3.053 6.765 ( 0.000 8.428 24.334) 25.753 7.136 ( 0.000 0.408 0.176) 0.445 8.952 ( -0.000 8.265 -32.704) 33.732 18.476 ( 0.000 0.827 1.800) 1.980 18.954 ( 0.000 -17.378 16.448) 23.928======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 4.071 -4.243 7.672) 9.666 1.086 ( 8.777 4.896 1.129) 10.113 1.866 ( 0.098 -0.366 2.927) 2.952 2.549 ( 2.618 5.376 -0.673) 6.017 3.006 ( -1.055 -11.571 -6.333) 13.233 3.731 ( -0.217 18.991 -1.313) 19.038 6.166 ( -2.478 2.842 -0.357) 3.788 6.896 ( -4.967 9.503 22.887) 25.275 7.205 ( 6.921 -0.184 2.947) 7.524 8.942 ( 2.824 6.675 -28.818) 29.716 18.490 ( -0.403 1.585 0.526) 1.718 18.828 ( -0.932 -16.088 12.325) 20.288======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( 7.155 -5.820 2.218) 9.486 1.296 ( 9.688 2.460 1.344) 10.086 1.875 ( 0.999 -0.587 1.205) 1.672 2.637 ( -0.445 1.294 0.733) 1.553 2.896 ( 4.586 -3.863 -7.166) 9.344 3.881 ( -0.820 13.257 -1.707) 13.392 6.133 ( -4.041 2.462 -0.466) 4.755 6.968 ( -7.564 11.793 18.718) 23.381 7.375 ( 10.220 -0.230 6.557) 12.145 8.953 ( 3.883 2.569 -23.411) 23.870 18.491 ( -1.443 1.111 -0.069) 1.822 18.708 ( -0.045 -12.715 7.903) 14.971======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( 8.406 -6.413 -2.641) 10.898 1.460 ( 6.696 0.875 1.073) 6.838 1.910 ( 3.169 -0.120 1.063) 3.344 2.523 ( -6.643 -5.515 -1.098) 8.703 3.072 ( 10.954 9.290 -4.013) 14.914 3.948 ( -1.264 4.778 -1.672) 5.218 6.081 ( -4.019 1.752 -0.589) 4.423 7.008 ( -10.272 13.830 16.601) 23.924 7.573 ( 9.190 0.276 5.262) 10.593 8.956 ( 5.498 -2.525 -17.277) 18.305 18.455 ( -2.912 -0.574 0.797) 3.073 18.642 ( 1.916 -7.856 2.939) 8.603======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 7.301 -5.513 -4.926) 10.390 1.559 ( 3.947 0.275 0.469) 3.984 1.996 ( 6.213 0.302 1.331) 6.361 2.344 ( -7.862 -3.738 -0.936) 8.756 3.347 ( 6.428 15.201 -1.947) 16.619 3.925 ( 0.216 -5.476 -1.390) 5.654 6.032 ( -2.818 1.023 -0.640) 3.065 7.003 ( -13.343 14.018 14.408) 24.127 7.701 ( 3.985 -0.883 0.371) 4.098 8.988 ( 8.955 -5.051 -9.909) 14.280 18.401 ( -2.565 -0.674 0.895) 2.799 18.625 ( 2.309 -4.583 0.010) 5.132======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 4.321 -3.134 -3.765) 6.532 1.613 ( 2.227 0.093 0.103) 2.231 2.113 ( 1.942 -0.659 -0.339) 2.079 2.198 ( -1.473 -0.456 0.840) 1.756 3.512 ( -7.836 15.908 -0.184) 17.734 3.884 ( 7.786 -11.468 -1.089) 13.904 6.003 ( -1.115 0.473 -0.549) 1.330 6.918 ( -15.591 9.584 9.221) 20.493 7.697 ( -1.231 -2.482 -2.849) 3.974 9.099 ( 11.087 -3.185 -3.230) 11.979 18.369 ( -0.847 -0.017 0.355) 0.918 18.623 ( 1.390 -2.326 -0.739) 2.809======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 0.455 -0.000 -0.000) 0.455 1.642 ( 1.101 -0.000 -0.000) 1.101 1.988 ( -9.370 0.000 0.000) 9.370 2.337 ( 10.465 -0.000 -0.000) 10.465 3.383 ( -13.443 0.000 0.000) 13.443 3.962 ( 5.541 -0.000 -0.000) 5.541 5.999 ( 0.540 -0.000 -0.000) 0.540 6.715 ( -15.111 0.000 0.000) 15.111 7.625 ( -4.099 0.000 0.000) 4.099 9.262 ( 9.685 -0.000 -0.000) 9.685 18.376 ( 1.609 -0.000 -0.000) 1.609 18.619 ( -0.290 0.000 0.000) 0.290======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( 0.000 -6.963 5.962) 9.166 1.050 ( 0.000 3.914 0.404) 3.934 1.862 ( 0.000 -1.293 0.598) 1.424 2.561 ( -0.000 3.842 -1.004) 3.971 2.879 ( -0.000 -11.457 -5.089) 12.536 3.913 ( -0.000 16.782 -1.878) 16.886 6.218 ( 0.000 2.525 1.205) 2.797 7.115 ( 0.000 6.662 26.787) 27.603 7.139 ( -0.000 0.428 -1.528) 1.587 8.894 ( -0.000 8.152 -26.719) 27.935 18.511 ( -0.000 1.779 -0.339) 1.811 18.718 ( 0.000 -15.035 9.851) 17.975======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.785 ( 3.995 -8.174 2.130) 9.344 1.161 ( 8.072 2.249 0.495) 8.394 1.851 ( 0.611 -1.489 -0.664) 1.741 2.629 ( 2.881 2.083 0.174) 3.560 2.757 ( 1.320 -7.405 -5.040) 9.054 4.035 ( -1.939 12.074 -2.039) 12.398 6.220 ( -2.937 2.030 1.155) 3.752 7.162 ( 1.520 3.096 2.275) 4.132 7.289 ( 3.395 3.627 20.609) 21.200 8.882 ( -0.025 6.063 -21.931) 22.753 18.520 ( -0.405 1.312 -1.548) 2.069 18.611 ( -0.277 -11.766 7.575) 13.996======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 7.217 -7.010 -1.398) 10.157 1.335 ( 8.966 0.887 0.571) 9.027 1.859 ( 2.132 -0.946 -0.554) 2.397 2.566 ( -4.652 -4.675 -0.785) 6.641 2.886 ( 13.700 3.174 -2.582) 14.298 4.066 ( -4.582 6.465 -1.646) 8.094 6.172 ( -4.595 1.238 0.539) 4.789 7.244 ( 1.069 5.175 4.254) 6.783 7.471 ( 6.103 2.795 14.362) 15.853 8.841 ( -0.521 1.265 -16.188) 16.245 18.506 ( -2.488 0.660 -0.505) 2.623 18.542 ( 1.723 -7.547 3.519) 8.503======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( 8.449 -3.784 -2.170) 9.508 1.475 ( 6.297 0.232 0.280) 6.307 1.907 ( 4.324 -0.265 0.060) 4.333 2.433 ( -6.242 -2.244 -0.472) 6.649 3.195 ( 17.694 3.936 -1.156) 18.163 3.993 ( -7.664 1.116 -0.871) 7.794 6.101 ( -4.377 0.490 0.113) 4.406 7.304 ( -3.555 5.808 5.292) 8.625 7.630 ( 4.693 1.019 5.159) 7.048 8.802 ( 3.136 -2.037 -8.435) 9.227 18.453 ( -3.356 -0.299 1.027) 3.522 18.541 ( 2.869 -2.921 -0.116) 4.096======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 7.258 -0.000 -0.000) 7.258 1.563 ( 3.825 -0.000 -0.000) 3.825 2.002 ( 6.650 -0.000 -0.000) 6.650 2.304 ( -7.318 0.000 0.000) 7.318 3.533 ( 17.601 -0.000 -0.000) 17.601 3.825 ( -11.124 0.000 0.000) 11.124 6.039 ( -2.952 0.000 0.000) 2.952 7.227 ( -11.214 0.000 0.000) 11.214 7.683 ( 0.923 -0.000 -0.000) 0.923 8.887 ( 9.611 -0.000 -0.000) 9.611 18.400 ( -2.574 0.000 0.000) 2.574 18.574 ( 2.551 -0.000 -0.000) 2.551======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.669 ( 0.000 -8.756 1.021) 8.816 1.104 ( 0.000 1.571 -0.032) 1.571 1.825 ( -0.000 -1.589 -1.386) 2.109 2.616 ( -0.000 2.163 -0.636) 2.254 2.666 ( -0.000 -6.455 -2.497) 6.921 4.150 ( -0.000 8.345 -1.816) 8.541 6.271 ( 0.000 1.520 1.468) 2.114 7.134 ( -0.000 0.277 -1.502) 1.527 7.386 ( 0.000 2.993 18.307) 18.550 8.883 ( -0.000 6.183 -16.003) 17.155 18.495 ( -0.000 -5.210 -0.120) 5.211 18.569 ( 0.000 -2.434 3.939) 4.630======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( 4.551 -5.402 -0.466) 7.079 1.190 ( 7.774 0.617 0.084) 7.799 1.817 ( 1.159 -0.857 -0.836) 1.666 2.587 ( -2.427 -2.800 -0.567) 3.749 2.703 ( 8.105 1.000 -0.995) 8.227 4.182 ( -2.870 3.920 -1.031) 4.967 6.256 ( -3.341 0.751 0.685) 3.492 7.182 ( 5.388 0.361 -0.651) 5.439 7.485 ( 2.760 1.876 10.241) 10.771 8.859 ( -2.996 2.754 -8.703) 9.607 18.459 ( 1.411 -3.730 0.565) 4.028 18.553 ( -1.806 -0.147 1.110) 2.125======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( 7.716 -0.000 -0.000) 7.716 1.345 ( 8.763 -0.000 -0.000) 8.763 1.845 ( 2.668 -0.000 -0.000) 2.668 2.513 ( -4.413 0.000 0.000) 4.413 2.913 ( 15.225 -0.000 -0.000) 15.225 4.123 ( -5.900 0.000 0.000) 5.900 6.187 ( -4.871 0.000 0.000) 4.871 7.294 ( 6.021 -0.000 -0.000) 6.021 7.581 ( 4.180 -0.000 -0.000) 4.180 8.789 ( -3.416 0.000 0.000) 3.416 18.477 ( 2.548 -0.000 -0.000) 2.548 18.511 ( -3.085 0.000 0.000) 3.085======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 7.131 ( -0.000 0.000 -0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 18.428 ( 0.000 0.000 0.000) 0.000 18.571 ( 0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.093 ( 0.000 -0.000 8.476) 8.476 0.093 ( 0.000 -0.000 8.476) 8.476 0.514 ( 0.000 -0.000 46.275) 46.275 2.277 ( -0.000 0.000 -3.874) 3.874 2.277 ( -0.000 0.000 -3.874) 3.874 4.602 ( -0.000 0.000 -4.775) 4.775 6.106 ( -0.000 0.000 -11.230) 11.230 6.106 ( -0.000 0.000 -11.230) 11.230 7.052 ( 0.000 -0.000 9.590) 9.590 7.052 ( 0.000 -0.000 9.590) 9.590 19.138 ( -0.000 0.000 -1.029) 1.029 20.967 ( 0.000 -0.000 0.907) 0.907======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.341 ( 11.472 6.623 7.002) 14.983 0.404 ( 12.716 7.342 8.055) 16.748 0.829 ( 12.561 7.252 34.552) 37.473 2.226 ( -1.319 -0.761 -7.384) 7.540 2.488 ( 11.575 6.683 -11.867) 17.874 4.029 ( -18.057 -10.425 19.099) 28.275 6.029 ( -1.552 -0.896 -13.894) 14.010 6.193 ( 1.483 0.856 1.040) 2.004 7.133 ( 2.493 1.440 11.740) 12.088 8.410 ( 52.626 30.384 -83.237) 103.058 18.916 ( -20.815 -12.017 12.915) 27.285 19.672 ( -40.863 -23.592 80.124) 92.985======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( 12.331 7.119 8.569) 16.618 0.694 ( 9.920 5.727 12.879) 17.236 1.246 ( 12.659 7.309 22.990) 27.243 2.165 ( -1.066 -0.616 -10.384) 10.456 2.747 ( 15.088 8.711 -8.287) 19.293 3.763 ( -11.586 -6.689 7.481) 15.328 5.933 ( -2.386 -1.378 -13.815) 14.087 6.221 ( -0.134 -0.077 6.490) 6.492 7.252 ( 4.018 2.320 11.382) 12.291 8.940 ( 21.687 12.521 -52.214) 57.908 18.568 ( -11.752 -6.785 15.484) 20.589 19.377 ( -13.429 -7.753 39.923) 42.828======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 12.092 6.981 10.816) 17.662 0.970 ( 10.361 5.982 9.381) 15.204 1.550 ( 7.052 4.072 19.250) 20.902 2.104 ( -0.501 -0.289 -12.946) 12.959 3.131 ( 19.842 11.456 -5.499) 23.562 3.511 ( -11.735 -6.775 0.531) 13.561 5.818 ( -3.392 -1.959 -11.633) 12.275 6.235 ( -1.300 -0.751 10.075) 10.186 7.398 ( 5.281 3.049 9.319) 11.137 9.168 ( 13.014 7.514 -33.487) 36.704 18.450 ( -3.063 -1.768 6.592) 7.481 19.223 ( -10.944 -6.318 26.718) 29.555======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( 10.259 5.923 1.638) 11.959 1.272 ( 10.289 5.941 12.764) 17.438 1.740 ( 3.903 2.253 19.731) 20.239 2.050 ( 0.381 0.220 -14.792) 14.798 3.216 ( -12.931 -7.466 -3.253) 15.282 3.591 ( 20.289 11.714 -5.181) 23.994 5.695 ( -3.965 -2.289 -7.979) 9.200 6.235 ( -2.195 -1.267 12.315) 12.573 7.556 ( 5.678 3.278 6.255) 9.061 9.321 ( 9.399 5.426 -21.967) 24.502 18.438 ( -0.134 -0.078 2.430) 2.435 19.073 ( -8.957 -5.171 17.891) 20.666======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 8.065 4.656 -6.217) 11.197 1.514 ( 6.193 3.576 11.597) 13.625 1.908 ( 4.712 2.721 20.881) 21.578 2.023 ( 2.133 1.231 -13.208) 13.436 2.887 ( -13.628 -7.868 -7.659) 17.501 4.001 ( 16.059 9.272 -3.677) 18.904 5.586 ( -3.469 -2.003 -3.528) 5.337 6.225 ( -2.706 -1.562 12.890) 13.263 7.695 ( 4.712 2.720 2.733) 6.089 9.444 ( 6.937 4.005 -13.945) 16.081 18.440 ( -0.524 -0.303 1.048) 1.210 18.954 ( -5.657 -3.266 10.016) 11.957======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 4.723 2.727 -8.604) 10.187 1.616 ( 0.475 0.274 1.488) 1.586 2.069 ( 4.321 2.495 -2.313) 5.500 2.115 ( 6.564 3.790 17.004) 18.617 2.542 ( -12.719 -7.344 -10.362) 17.974 4.284 ( 9.098 5.253 -2.256) 10.745 5.520 ( -1.659 -0.958 1.074) 2.196 6.206 ( -2.886 -1.666 11.766) 12.229 7.783 ( 2.348 1.356 -0.867) 2.847 9.537 ( 4.611 2.662 -8.161) 9.744 18.420 ( -1.222 -0.705 0.294) 1.441 18.883 ( -2.841 -1.640 3.324) 4.670======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( -2.859 -1.651 -7.480) 8.176 1.605 ( 2.424 1.400 -8.756) 9.192 2.115 ( -12.242 -7.068 -5.172) 15.052 2.176 ( 3.395 1.960 7.684) 8.626 2.441 ( 8.410 4.856 5.283) 11.055 4.395 ( 0.881 0.508 -0.847) 1.323 5.524 ( 1.055 0.609 5.296) 5.434 6.181 ( -2.665 -1.539 9.789) 10.261 7.791 ( -0.876 -0.506 -4.256) 4.374 9.595 ( 2.343 1.353 -4.118) 4.927 18.398 ( -0.315 -0.182 -0.697) 0.786 18.834 ( -1.945 -1.123 -1.632) 2.777======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -5.012 -2.894 -10.196) 11.725 1.595 ( -0.609 -0.351 -16.246) 16.261 1.787 ( -12.582 -7.264 -0.701) 14.545 2.265 ( 1.125 0.649 11.384) 11.458 2.703 ( 11.454 6.613 4.165) 13.866 4.315 ( -7.678 -4.433 -0.217) 8.869 5.606 ( 3.724 2.150 8.715) 9.718 6.160 ( -1.854 -1.070 8.287) 8.560 7.712 ( -4.049 -2.338 -7.149) 8.542 9.616 ( 0.495 0.286 -1.522) 1.626 18.406 ( 1.189 0.686 -0.758) 1.568 18.777 ( -1.770 -1.022 -5.681) 6.038======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( -7.210 -4.163 -9.699) 12.782 1.353 ( -11.431 -6.599 -21.677) 25.379 1.646 ( -3.373 -1.947 6.079) 7.220 2.312 ( -0.579 -0.334 11.624) 11.643 2.981 ( 11.472 6.623 1.492) 13.331 4.046 ( -15.138 -8.740 -0.758) 17.496 5.750 ( 5.328 3.076 10.888) 12.506 6.159 ( -0.870 -0.502 7.696) 7.762 7.560 ( -6.244 -3.605 -9.211) 11.697 9.611 ( -0.525 -0.303 -0.127) 0.619 18.436 ( 0.778 0.449 1.284) 1.567 18.723 ( 0.131 0.076 -9.577) 9.578======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( -12.399 -7.159 -17.439) 22.564 1.044 ( -9.305 -5.372 -7.671) 13.202 1.578 ( -4.929 -2.846 5.358) 7.817 2.330 ( -1.251 -0.722 9.971) 10.075 3.234 ( 9.752 5.631 -0.033) 11.261 3.638 ( -18.677 -10.783 -2.145) 21.673 5.918 ( 5.323 3.073 11.236) 12.807 6.173 ( -0.454 -0.262 7.216) 7.235 7.370 ( -6.834 -3.946 -9.902) 12.661 9.596 ( -0.649 -0.375 -0.046) 0.751 18.419 ( -2.948 -1.702 1.406) 3.683 18.744 ( 4.875 2.814 -8.817) 10.461======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( -11.662 -6.733 -11.999) 18.036 0.787 ( -10.754 -6.209 -5.140) 13.439 1.432 ( -10.331 -5.965 7.047) 13.856 2.332 ( -1.214 -0.701 7.235) 7.369 3.148 ( -17.145 -9.899 -4.927) 20.401 3.488 ( 7.694 4.442 0.711) 8.912 6.063 ( 3.810 2.200 8.831) 9.866 6.185 ( -0.619 -0.358 6.023) 6.065 7.188 ( -5.659 -3.267 -8.189) 10.477 9.581 ( -0.342 -0.197 -3.277) 3.300 18.331 ( -4.378 -2.528 0.595) 5.091 18.863 ( 6.649 3.839 -2.405) 8.046======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.394 ( -9.415 -5.436 0.468) 10.882 0.516 ( -11.323 -6.537 -2.797) 13.370 1.130 ( -18.630 -10.756 9.868) 23.668 2.327 ( -1.027 -0.593 3.818) 3.998 2.781 ( -11.562 -6.675 -8.224) 15.680 3.668 ( 6.707 3.872 4.574) 8.995 6.148 ( 1.502 0.867 2.755) 3.255 6.188 ( -0.770 -0.445 4.200) 4.293 7.063 ( -3.200 -1.848 -2.946) 4.726 9.531 ( -1.660 -0.958 -20.027) 20.119 18.262 ( -2.086 -1.204 13.763) 13.972 19.015 ( 5.797 3.347 5.725) 8.808======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.268 ( 0.000 11.382 3.851) 12.016 0.454 ( 0.000 12.076 13.439) 18.067 0.996 ( 0.000 15.470 36.131) 39.304 2.288 ( -0.000 2.579 -4.119) 4.860 2.357 ( -0.000 9.335 -15.784) 18.338 4.099 ( 0.000 -20.979 13.957) 25.198 6.048 ( -0.000 2.332 -12.943) 13.151 6.186 ( -0.000 6.050 -3.014) 6.759 7.110 ( 0.000 -0.988 10.661) 10.706 8.143 ( -0.000 57.373 -63.122) 85.300 18.947 ( 0.000 -18.444 5.003) 19.110 19.943 ( 0.000 -51.992 67.591) 85.274======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( 12.846 9.587 5.106) 16.823 0.658 ( 5.369 6.860 16.334) 18.511 1.323 ( 4.052 15.532 29.073) 33.210 2.204 ( -5.658 4.254 -9.467) 11.821 2.557 ( 12.842 9.341 -11.345) 19.516 3.879 ( -8.378 -12.546 7.620) 16.901 5.972 ( -5.041 4.528 -13.651) 15.240 6.254 ( 0.265 3.657 5.554) 6.655 7.204 ( 6.035 -1.679 10.793) 12.479 8.565 ( 17.583 28.103 -54.721) 63.979 18.702 ( -8.525 -14.370 10.240) 19.596 19.637 ( -11.877 -22.226 47.606) 53.865======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 9.668 6.563 15.478) 19.394 0.891 ( 11.142 6.861 6.007) 14.398 1.612 ( 3.144 9.648 22.976) 25.118 2.126 ( -4.464 5.367 -11.650) 13.581 2.896 ( 17.725 12.721 -8.306) 23.345 3.624 ( -10.165 -10.220 1.726) 14.517 5.878 ( -5.929 5.243 -12.309) 14.634 6.303 ( -1.689 2.073 12.000) 12.294 7.343 ( 6.784 -0.550 9.580) 11.752 8.874 ( 15.376 13.465 -41.036) 45.844 18.517 ( -4.963 -5.426 7.312) 10.370 19.419 ( -10.229 -14.123 31.588) 36.081======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 9.280 2.918 7.752) 12.439 1.210 ( 10.867 7.741 9.601) 16.438 1.795 ( 1.938 3.881 17.362) 17.896 2.078 ( -3.955 8.916 -11.015) 14.712 3.316 ( 3.333 -0.759 -10.140) 10.700 3.354 ( 5.213 4.204 1.084) 6.784 5.782 ( -6.819 5.660 -9.118) 12.715 6.326 ( -3.201 0.662 15.944) 16.275 7.494 ( 6.854 0.878 6.839) 9.722 9.089 ( 13.002 7.167 -29.324) 32.868 18.457 ( -1.341 -1.112 3.623) 4.020 19.221 ( -9.009 -11.463 21.016) 25.578======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 8.749 2.251 -1.587) 9.173 1.471 ( 7.744 3.372 11.279) 14.091 1.893 ( 2.507 0.412 6.338) 6.828 2.109 ( -2.966 14.077 -0.726) 14.404 3.006 ( -12.687 -8.754 -8.058) 17.393 3.779 ( 18.400 10.118 -3.690) 21.320 5.694 ( -7.161 6.410 -4.847) 10.763 6.324 ( -4.170 -0.660 17.735) 18.230 7.639 ( 5.867 1.798 3.229) 6.934 9.260 ( 11.079 3.569 -20.030) 23.167 18.449 ( -0.463 -0.371 1.641) 1.745 19.044 ( -6.569 -8.706 12.390) 16.507======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 6.559 0.562 -8.138) 10.468 1.603 ( 2.360 -0.335 3.707) 4.407 1.989 ( 5.695 2.577 4.492) 7.698 2.229 ( -1.505 12.650 8.074) 15.083 2.669 ( -13.297 -5.505 -10.836) 18.014 4.126 ( 13.661 5.354 -2.780) 14.934 5.635 ( -6.429 7.678 -0.254) 10.017 6.300 ( -4.577 -1.769 17.627) 18.297 7.745 ( 3.520 1.694 -0.660) 3.961 9.396 ( 9.055 0.977 -12.887) 15.780 18.432 ( -1.158 -1.192 0.662) 1.789 18.918 ( -3.458 -5.602 5.043) 8.293======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.477 ( 3.134 -3.263 -11.425) 12.288 1.610 ( -0.638 1.593 -4.239) 4.573 2.161 ( 6.429 3.852 6.759) 10.092 2.232 ( -9.571 -5.396 -0.288) 10.991 2.484 ( -3.313 12.030 -0.432) 12.485 4.325 ( 6.817 0.099 -1.869) 7.070 5.630 ( -4.544 9.149 3.944) 10.950 6.263 ( -4.417 -2.392 16.348) 17.103 7.781 ( 0.213 0.415 -4.361) 4.386 9.496 ( 6.753 -0.910 -7.827) 10.378 18.399 ( -0.865 -1.241 -0.320) 1.546 18.839 ( -1.784 -3.649 -0.346) 4.076======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( -1.169 -6.000 -13.073) 14.432 1.597 ( -1.627 3.504 -9.347) 10.114 1.940 ( -12.769 -5.551 -3.194) 14.285 2.325 ( 2.345 5.361 8.726) 10.507 2.637 ( 4.923 10.132 3.769) 11.879 4.343 ( -1.318 -4.923 -1.357) 5.274 5.691 ( -1.969 10.090 7.123) 12.507 6.227 ( -3.581 -2.276 15.033) 15.621 7.727 ( -3.150 -1.635 -7.439) 8.242 9.554 ( 4.388 -1.952 -4.837) 6.816 18.388 ( 0.841 -0.029 -0.795) 1.158 18.769 ( -1.714 -3.041 -3.943) 5.266======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( -4.586 -7.737 -13.658) 16.354 1.503 ( -9.702 4.640 -16.997) 20.114 1.724 ( -6.365 -3.344 6.935) 9.989 2.408 ( -2.348 4.898 9.358) 10.820 2.861 ( 9.578 7.046 1.416) 11.974 4.171 ( -9.768 -8.925 -1.631) 13.331 5.809 ( 0.472 9.701 8.751) 13.073 6.210 ( -2.334 -1.661 14.265) 14.550 7.591 ( -5.621 -3.584 -9.425) 11.544 9.576 ( 2.429 -1.983 -3.839) 4.957 18.424 ( 2.239 1.405 0.817) 2.767 18.690 ( -1.485 -2.756 -6.804) 7.490======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( -7.904 -7.980 -12.068) 16.486 1.274 ( -14.554 4.951 -12.153) 19.597 1.651 ( -3.743 -2.353 7.306) 8.539 2.422 ( -3.993 2.968 8.258) 9.641 3.106 ( 10.824 5.322 0.028) 12.061 3.831 ( -16.579 -10.760 -2.649) 19.942 5.952 ( 2.010 7.521 8.343) 11.411 6.214 ( -1.515 -1.244 13.353) 13.497 7.406 ( -6.573 -4.327 -9.599) 12.413 9.575 ( 1.155 -1.133 -4.910) 5.170 18.464 ( -1.622 0.440 3.473) 3.858 18.649 ( 3.706 -0.382 -7.315) 8.209======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( -9.898 -5.605 -5.871) 12.801 1.022 ( -15.923 4.366 -7.019) 17.941 1.566 ( -6.868 -3.497 8.409) 11.406 2.398 ( -3.610 0.665 5.343) 6.482 3.303 ( -0.840 0.719 -2.306) 2.557 3.428 ( -8.460 -6.038 -1.656) 10.525 6.075 ( 2.246 3.934 5.659) 7.249 6.221 ( -1.389 -1.785 10.608) 10.847 7.227 ( -5.911 -2.789 -6.631) 9.311 9.556 ( 0.135 -0.037 -9.350) 9.351 18.399 ( -4.815 -1.312 1.960) 5.362 18.763 ( 7.999 2.290 1.196) 8.406======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.523 ( -9.512 -1.230 6.795) 11.754 0.762 ( -16.465 3.641 -2.576) 17.058 1.381 ( -13.949 -5.533 11.177) 18.711 2.351 ( -2.292 -2.023 0.689) 3.134 2.957 ( -17.594 -2.703 -7.158) 19.185 3.567 ( 9.716 1.475 3.846) 10.553 6.140 ( 1.074 0.516 0.162) 1.202 6.203 ( -0.908 -3.545 5.978) 7.009 7.115 ( -4.260 0.919 0.237) 4.365 9.487 ( -2.822 0.341 -22.323) 22.503 18.336 ( -2.235 -0.547 9.804) 10.071 18.950 ( 8.238 2.108 10.508) 13.517======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( 0.000 11.675 4.368) 12.465 0.746 ( 0.000 4.661 20.701) 21.219 1.555 ( 0.000 14.223 25.781) 29.444 2.320 ( -0.000 3.858 -4.608) 6.010 2.472 ( -0.000 16.504 -15.929) 22.937 3.836 ( 0.000 -14.312 4.615) 15.038 6.022 ( -0.000 4.317 -11.728) 12.498 6.343 ( 0.000 8.806 6.949) 11.218 7.158 ( 0.000 -1.757 9.370) 9.533 8.517 ( -0.000 26.265 -47.968) 54.688 18.657 ( 0.000 -13.435 7.890) 15.580 19.653 ( 0.000 -24.897 40.531) 47.567======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( 11.242 9.591 4.252) 15.377 0.887 ( 3.626 2.089 20.544) 20.966 1.752 ( 0.606 7.086 18.386) 19.714 2.269 ( -6.438 8.591 -7.126) 12.885 2.745 ( 12.291 18.482 -9.641) 24.200 3.655 ( -5.788 -12.889 1.075) 14.169 5.991 ( -4.111 6.263 -11.178) 13.457 6.443 ( -3.151 8.348 13.609) 16.274 7.237 ( 6.695 -2.175 8.725) 11.211 8.656 ( 8.952 16.824 -41.690) 45.840 18.547 ( -2.737 -7.128 6.181) 9.824 19.499 ( -5.518 -20.703 30.539) 37.305======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 7.154 1.701 7.964) 10.839 1.119 ( 11.649 5.506 12.736) 18.116 1.853 ( 0.407 1.612 9.713) 9.854 2.255 ( -4.931 13.174 -4.493) 14.767 3.125 ( 14.050 13.227 -8.295) 21.004 3.416 ( -7.485 -7.654 -0.561) 10.721 5.935 ( -5.869 7.775 -9.585) 13.666 6.500 ( -5.730 6.439 18.936) 20.805 7.385 ( 8.424 -1.309 7.552) 11.390 8.832 ( 11.936 9.689 -34.089) 37.395 18.482 ( -1.650 -2.159 3.858) 4.719 19.294 ( -6.794 -17.510 21.455) 28.515======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 7.572 -0.388 2.549) 7.999 1.393 ( 9.426 2.498 10.500) 14.330 1.891 ( 0.760 0.603 3.496) 3.628 2.326 ( -3.268 16.012 0.365) 16.346 3.072 ( -8.509 -9.630 -9.583) 16.030 3.584 ( 14.295 12.685 -1.672) 19.185 5.878 ( -6.566 8.689 -6.719) 12.797 6.515 ( -7.627 4.790 21.927) 23.705 7.546 ( 7.862 0.246 4.789) 9.209 9.005 ( 12.455 4.535 -25.749) 28.960 18.463 ( -0.805 -0.436 2.038) 2.234 19.087 ( -5.852 -14.136 13.437) 20.362======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 6.958 -1.774 -5.030) 8.768 1.554 ( 4.671 -0.605 5.510) 7.248 1.951 ( 3.690 1.824 4.658) 6.216 2.429 ( -3.783 11.386 3.796) 12.584 2.803 ( -10.005 -0.787 -11.087) 14.954 3.924 ( 14.080 6.163 -2.362) 15.551 5.838 ( -6.250 9.472 -3.466) 11.866 6.496 ( -9.016 3.610 23.229) 25.178 7.684 ( 5.545 1.258 0.871) 5.753 9.161 ( 11.867 0.461 -17.975) 21.544 18.445 ( -1.342 -1.063 1.073) 2.020 18.922 ( -3.341 -9.936 6.288) 12.224======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( 4.548 -3.637 -10.449) 11.962 1.604 ( 1.276 0.133 -0.614) 1.422 2.089 ( 7.191 1.861 6.632) 9.958 2.341 ( -9.349 -5.340 -1.363) 10.853 2.733 ( -6.413 18.706 -3.488) 20.080 4.160 ( 10.507 -0.411 -2.385) 10.782 5.830 ( -4.891 9.943 -0.652) 11.100 6.451 ( -9.693 3.014 23.404) 25.511 7.756 ( 1.845 0.752 -3.325) 3.877 9.291 ( 10.548 -2.347 -11.716) 15.939 18.405 ( -1.598 -1.689 0.404) 2.360 18.817 ( -1.241 -6.288 0.728) 6.451======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 1.004 -4.830 -12.658) 13.585 1.615 ( -0.047 1.833 -3.980) 4.382 2.080 ( -10.534 -4.519 -4.319) 12.249 2.287 ( 8.136 2.001 6.976) 10.902 2.817 ( -6.011 18.326 1.177) 19.322 4.254 ( 4.623 -5.697 -2.190) 7.657 5.863 ( -2.716 9.453 1.218) 9.911 6.400 ( -9.380 3.013 22.885) 24.916 7.732 ( -2.093 -1.208 -6.828) 7.243 9.391 ( 8.499 -3.453 -7.585) 11.904 18.375 ( -0.096 -0.709 -0.161) 0.733 18.744 ( -0.988 -4.409 -2.601) 5.214======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( -2.835 -4.481 -11.860) 12.992 1.601 ( -2.657 3.376 -8.382) 9.419 1.855 ( -9.791 -2.616 1.194) 10.205 2.466 ( 5.917 2.963 5.091) 8.350 2.895 ( -3.293 13.198 1.681) 13.707 4.187 ( -2.994 -8.877 -2.088) 9.598 5.929 ( -0.310 7.550 2.120) 7.848 6.360 ( -8.019 2.854 21.426) 23.055 7.616 ( -5.087 -3.179 -8.608) 10.491 9.460 ( 6.014 -2.892 -5.838) 8.867 18.396 ( 2.428 1.109 0.472) 2.710 18.668 ( -1.810 -3.560 -4.269) 5.846======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -6.604 -2.641 -7.881) 10.616 1.500 ( -9.672 5.209 -12.112) 16.351 1.723 ( -4.668 -2.469 7.981) 9.570 2.552 ( -2.133 3.222 4.620) 6.023 3.008 ( 4.970 6.843 -0.019) 8.457 3.964 ( -11.042 -9.020 -2.256) 14.435 6.011 ( 1.471 4.670 2.390) 5.449 6.331 ( -6.067 0.675 17.570) 18.600 7.450 ( -6.512 -2.955 -7.449) 10.326 9.500 ( 3.610 -1.213 -6.495) 7.529 18.484 ( 4.041 2.910 3.915) 6.335 18.581 ( -1.838 -3.177 -5.471) 6.588======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.865 ( -9.237 0.612 -0.337) 9.264 1.308 ( -13.731 5.366 -8.001) 16.774 1.661 ( -4.219 -2.641 8.938) 10.231 2.502 ( -6.044 -0.145 1.926) 6.345 3.191 ( 9.982 3.001 -0.544) 10.438 3.630 ( -17.334 -5.356 -2.649) 18.335 6.084 ( 1.986 2.076 1.910) 3.450 6.278 ( -4.073 -4.619 10.245) 11.953 7.303 ( -6.345 0.626 -2.327) 6.787 9.511 ( 1.261 0.675 -10.055) 10.156 18.474 ( -4.434 -1.037 -0.585) 4.591 18.651 ( 8.190 2.113 5.134) 9.894======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( -9.598 4.533 9.730) 14.400 1.081 ( -15.843 4.529 -2.514) 16.668 1.567 ( -7.929 -3.294 10.843) 13.831 2.376 ( -4.998 -4.275 -3.701) 7.546 3.269 ( -19.903 2.750 -3.811) 20.451 3.397 ( 11.240 -0.695 1.370) 11.344 6.115 ( 0.055 -1.962 -4.678) 5.073 6.189 ( -0.744 -6.840 7.264) 10.005 7.235 ( -5.212 4.713 4.547) 8.369 9.469 ( -2.260 1.978 -18.411) 18.654 18.400 ( -2.976 -0.447 3.083) 4.308 18.857 ( 9.296 1.634 13.012) 16.074======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( 0.000 9.291 4.693) 10.409 0.939 ( 0.000 -1.046 20.891) 20.917 1.848 ( 0.000 2.365 10.955) 11.208 2.375 ( -0.000 5.179 -4.943) 7.159 2.834 ( -0.000 25.470 -7.277) 26.489 3.575 ( -0.000 -12.379 -0.334) 12.384 6.047 ( -0.000 5.941 -9.540) 11.239 6.643 ( 0.000 11.865 17.286) 20.967 7.177 ( 0.000 -2.489 7.514) 7.915 8.592 ( -0.000 14.880 -39.288) 42.011 18.525 ( 0.000 -5.084 4.873) 7.042 19.429 ( 0.000 -22.501 25.516) 34.020======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.955 ( 6.400 4.201 4.874) 9.075 1.036 ( 6.499 -0.948 17.440) 18.636 1.886 ( -0.113 -0.077 5.419) 5.420 2.404 ( -0.912 8.122 -4.130) 9.157 3.070 ( 4.115 11.238 -7.115) 13.923 3.455 ( -2.848 -0.613 -0.179) 2.919 6.050 ( -2.904 6.695 -8.493) 11.197 6.774 ( -6.128 11.055 21.241) 24.717 7.251 ( 7.402 -2.157 7.656) 10.866 8.645 ( 6.466 11.276 -35.547) 37.849 18.496 ( -0.860 -1.935 3.415) 4.018 19.261 ( -3.167 -21.178 19.311) 28.835======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( 5.247 -3.276 5.830) 8.500 1.272 ( 11.024 1.561 9.647) 14.732 1.895 ( 0.279 -0.502 2.500) 2.565 2.491 ( 0.685 11.294 -1.648) 11.434 3.026 ( -2.545 -9.826 -9.631) 13.993 3.571 ( 3.887 16.174 -0.075) 16.635 6.025 ( -4.383 6.873 -6.619) 10.501 6.827 ( -8.898 9.960 22.756) 26.386 7.413 ( 9.155 -0.953 7.277) 11.733 8.761 ( 9.738 6.927 -29.638) 31.957 18.482 ( -0.885 -0.204 2.001) 2.197 19.059 ( -3.871 -18.093 13.062) 22.648======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 6.226 -4.807 -0.852) 7.911 1.467 ( 7.258 -0.482 5.949) 9.396 1.923 ( 2.417 -0.042 3.251) 4.051 2.581 ( -3.434 4.078 1.213) 5.468 2.879 ( -1.011 2.504 -10.925) 11.254 3.800 ( 6.936 9.412 -1.280) 11.761 5.993 ( -4.505 6.292 -4.194) 8.802 6.839 ( -11.041 10.005 23.526) 27.847 7.583 ( 7.861 0.426 4.105) 8.879 8.890 ( 11.090 1.900 -22.438) 25.101 18.466 ( -1.521 -0.421 1.161) 1.959 18.879 ( -2.487 -13.548 7.021) 15.461======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 5.669 -5.119 -6.987) 10.351 1.564 ( 3.424 -0.495 1.571) 3.800 2.008 ( 5.624 -0.097 4.976) 7.510 2.434 ( -8.489 -5.634 -2.305) 10.446 2.983 ( -0.315 18.937 -4.628) 19.496 3.974 ( 8.142 0.268 -2.021) 8.394 5.969 ( -3.503 5.201 -2.052) 6.598 6.819 ( -13.075 10.397 23.685) 28.983 7.703 ( 4.129 0.583 -0.725) 4.232 9.017 ( 11.851 -2.189 -15.318) 19.490 18.426 ( -2.341 -1.360 0.973) 2.877 18.761 ( -0.379 -8.592 1.714) 8.770======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 3.508 -4.072 -9.613) 11.014 1.605 ( 1.510 0.581 -1.213) 2.022 2.128 ( 3.970 -0.872 0.357) 4.081 2.238 ( -4.949 -3.049 1.409) 5.981 3.130 ( -5.464 20.764 -1.030) 21.495 4.070 ( 7.536 -6.823 -2.279) 10.418 5.963 ( -1.804 3.811 -0.525) 4.249 6.769 ( -14.249 9.699 22.656) 28.467 7.721 ( -0.469 -1.126 -5.127) 5.270 9.146 ( 11.613 -3.475 -9.600) 15.462 18.380 ( -1.463 -0.968 0.673) 1.879 18.695 ( 0.245 -5.154 -1.502) 5.374======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 0.309 -1.640 -8.128) 8.298 1.622 ( 0.133 1.491 -3.391) 3.707 1.999 ( -9.083 -1.425 -1.903) 9.389 2.344 ( 9.611 -0.073 3.506) 10.231 3.184 ( -9.840 16.429 0.606) 19.160 4.082 ( 3.862 -8.966 -2.029) 9.971 5.979 ( 0.076 2.416 0.563) 2.482 6.682 ( -13.784 5.748 19.084) 24.233 7.640 ( -3.920 -2.121 -6.375) 7.779 9.274 ( 9.636 -2.188 -6.454) 11.802 18.374 ( 1.026 0.266 0.627) 1.232 18.645 ( -0.631 -2.902 -2.491) 3.876======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( -3.365 1.598 -3.394) 5.040 1.606 ( -2.641 2.827 -7.004) 8.001 1.839 ( -7.945 -0.966 3.629) 8.787 2.515 ( 8.254 -0.192 1.300) 8.358 3.132 ( -9.178 7.484 0.168) 11.844 4.009 ( -3.180 -5.478 -1.506) 6.511 6.016 ( 1.581 1.337 1.414) 2.507 6.539 ( -11.414 -2.532 11.914) 16.693 7.524 ( -5.823 0.587 -3.025) 6.588 9.382 ( 6.554 0.134 -6.028) 8.905 18.427 ( 4.133 0.502 0.860) 4.251 18.596 ( -2.095 -0.388 -1.006) 2.356======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -6.604 4.990 3.394) 8.946 1.520 ( -8.151 4.404 -8.981) 12.903 1.741 ( -4.621 -2.053 9.345) 10.625 2.575 ( -1.812 -2.698 -0.464) 3.282 3.082 ( 2.018 -0.535 -1.740) 2.718 3.854 ( -11.325 1.135 -1.282) 11.454 6.066 ( 2.154 0.811 1.403) 2.695 6.329 ( -7.709 -11.236 4.195) 14.258 7.444 ( -6.406 4.865 2.512) 8.427 9.453 ( 3.132 2.277 -8.207) 9.074 18.483 ( 1.411 -2.362 -3.007) 4.075 18.607 ( 2.282 4.022 7.414) 8.738======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( -8.326 7.807 10.242) 15.335 1.359 ( -12.228 4.086 -4.270) 13.581 1.682 ( -4.610 -2.571 11.541) 12.691 2.413 ( -7.554 -6.953 -5.644) 11.716 3.184 ( 10.870 -3.052 -1.443) 11.382 3.640 ( -17.393 7.440 -2.069) 19.030 6.063 ( -2.621 -7.485 -9.468) 12.351 6.151 ( 0.792 -6.560 9.827) 11.842 7.413 ( -5.987 6.755 6.479) 11.111 9.466 ( -0.870 3.616 -13.470) 13.974 18.444 ( -1.885 -0.789 -0.826) 2.204 18.773 ( 7.632 2.326 12.764) 15.053======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( 0.000 5.675 4.068) 6.982 1.001 ( 0.000 -6.792 16.956) 18.266 1.895 ( 0.000 -1.278 2.787) 3.066 2.451 ( -0.000 5.877 -4.839) 7.613 3.060 ( -0.000 -4.718 -6.713) 8.205 3.548 ( 0.000 15.163 0.145) 15.163 6.110 ( -0.000 6.514 -7.918) 10.253 7.041 ( 0.000 11.060 25.210) 27.529 7.175 ( 0.000 -2.684 6.392) 6.933 8.578 ( -0.000 11.892 -34.297) 36.300 18.501 ( 0.000 -0.725 2.530) 2.632 19.135 ( 0.000 -21.629 15.768) 26.766======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( 1.644 -6.880 9.206) 11.610 1.130 ( 9.642 1.224 7.221) 12.108 1.887 ( 0.196 -1.773 1.322) 2.220 2.524 ( 3.441 6.857 -3.885) 8.599 2.931 ( -1.941 -10.648 -6.971) 12.874 3.722 ( -0.252 17.922 -0.514) 17.931 6.124 ( -2.449 6.181 -6.934) 9.606 7.122 ( -4.791 5.431 16.740) 18.240 7.301 ( 6.386 1.592 14.780) 16.180 8.614 ( 4.171 10.643 -29.859) 31.972 18.501 ( -0.513 0.213 1.371) 1.480 18.962 ( -1.646 -19.351 11.760) 22.704======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( 4.356 -8.314 3.448) 9.999 1.336 ( 9.738 -0.189 5.454) 11.163 1.889 ( 1.616 -1.601 1.781) 2.889 2.640 ( -0.256 1.274 -0.144) 1.307 2.804 ( 4.411 -1.251 -9.424) 10.480 3.866 ( -0.831 12.714 -1.014) 12.781 6.102 ( -3.801 4.932 -4.869) 7.905 7.162 ( -4.827 6.746 16.257) 18.251 7.478 ( 6.730 1.357 11.201) 13.137 8.691 ( 5.771 6.277 -23.211) 24.728 18.493 ( -1.175 0.218 0.417) 1.266 18.795 ( -1.512 -15.140 7.605) 17.010======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 5.904 -7.025 -2.206) 9.438 1.484 ( 6.118 -0.681 2.798) 6.762 1.932 ( 4.044 -1.401 3.288) 5.396 2.504 ( -6.900 -5.264 -2.509) 9.034 3.022 ( 11.609 11.675 -4.782) 17.145 3.932 ( -1.348 4.807 -1.168) 5.127 6.062 ( -3.782 3.209 -2.620) 5.609 7.195 ( -7.710 8.562 16.853) 20.415 7.628 ( 5.358 0.944 4.011) 6.759 8.769 ( 7.788 0.985 -15.852) 17.689 18.463 ( -2.419 -0.551 0.464) 2.524 18.677 ( 0.198 -9.825 3.198) 10.335======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 5.772 -3.494 -4.853) 8.311 1.565 ( 3.301 -0.115 0.490) 3.339 2.021 ( 6.270 -1.259 3.157) 7.132 2.327 ( -7.540 -2.793 -2.014) 8.290 3.325 ( 7.216 16.351 -1.970) 17.981 3.911 ( -0.106 -4.910 -1.240) 5.065 6.022 ( -2.672 1.674 -0.918) 3.284 7.173 ( -11.798 7.479 15.804) 21.093 7.690 ( 1.272 -0.735 -2.635) 3.016 8.882 ( 10.895 -0.956 -8.726) 13.991 18.410 ( -2.609 -0.860 0.783) 2.856 18.625 ( 1.399 -5.032 -0.103) 5.224======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 3.835 0.893 -3.606) 5.339 1.608 ( 1.639 0.500 -1.132) 2.054 2.103 ( -1.373 0.034 -1.508) 2.039 2.214 ( 1.846 -1.738 2.096) 3.290 3.511 ( -7.474 16.422 0.132) 18.044 3.870 ( 7.710 -10.630 -1.404) 13.206 6.001 ( -0.972 0.698 0.271) 1.227 7.027 ( -15.017 -0.458 10.020) 18.058 7.664 ( -1.805 0.384 -2.717) 3.285 9.056 ( 11.492 0.757 -4.487) 12.360 18.374 ( -0.898 -0.422 0.568) 1.143 18.613 ( 1.012 -1.472 -1.019) 2.057======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 0.734 4.711 0.378) 4.783 1.625 ( 0.205 1.131 -2.927) 3.145 1.990 ( -8.384 1.050 0.250) 8.453 2.339 ( 10.100 -1.798 0.430) 10.268 3.382 ( -13.604 -0.523 -0.217) 13.616 3.959 ( 5.471 1.307 -0.456) 5.644 6.007 ( 0.787 0.343 1.299) 1.557 6.727 ( -14.655 -11.156 2.309) 18.563 7.635 ( -3.942 4.194 1.667) 5.993 9.242 ( 9.023 3.097 -3.646) 10.212 18.378 ( 1.614 -0.472 0.321) 1.712 18.620 ( -0.008 1.591 0.158) 1.599======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( -2.589 7.465 5.394) 9.567 1.610 ( -2.246 2.305 -5.764) 6.601 1.867 ( -7.580 0.530 5.369) 9.304 2.481 ( 7.782 -3.186 -1.542) 8.549 3.109 ( -9.807 -8.899 -2.013) 13.394 4.023 ( -3.450 7.114 -0.378) 7.915 6.043 ( 1.961 0.578 1.924) 2.807 6.351 ( -11.186 -17.594 -1.837) 20.930 7.620 ( -5.264 6.124 4.663) 9.325 9.390 ( 5.229 4.688 -5.157) 8.712 18.413 ( 2.880 -1.239 -0.280) 3.148 18.653 ( 0.267 3.897 3.684) 5.370======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( -5.408 9.158 9.687) 14.386 1.541 ( -6.567 3.566 -6.866) 10.148 1.785 ( -5.250 -0.988 11.646) 12.813 2.439 ( -5.706 -8.586 -4.368) 11.196 2.967 ( 6.162 -7.227 -4.063) 10.330 3.974 ( -11.382 9.743 -1.463) 15.054 5.994 ( -6.174 -13.985 -9.745) 18.129 6.110 ( 2.344 -3.235 9.596) 10.394 7.606 ( -5.657 6.093 5.830) 10.155 9.470 ( 0.894 5.264 -8.722) 10.227 18.436 ( 1.194 -1.052 -0.581) 1.694 18.746 ( 3.584 3.385 8.668) 9.972======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 0.000 -11.972 11.993) 16.946 1.070 ( 0.000 2.498 3.258) 4.105 1.866 ( 0.000 -2.479 0.605) 2.552 2.531 ( -0.000 5.305 -4.393) 6.888 2.822 ( -0.000 -10.181 -5.115) 11.394 3.897 ( 0.000 16.058 -0.927) 16.084 6.180 ( -0.000 5.983 -7.716) 9.763 7.169 ( 0.000 -2.534 6.623) 7.092 7.390 ( 0.000 4.674 21.818) 22.313 8.606 ( -0.000 13.496 -24.322) 27.815 18.511 ( 0.000 0.173 0.148) 0.228 18.829 ( 0.000 -17.469 10.102) 20.180======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 1.832 -11.830 7.695) 14.231 1.186 ( 8.640 0.376 3.980) 9.520 1.851 ( 0.942 -2.325 1.150) 2.760 2.617 ( 4.972 4.388 -2.631) 7.134 2.698 ( -0.868 -6.748 -5.380) 8.674 4.019 ( -1.925 11.841 -0.829) 12.025 6.185 ( -2.455 4.911 -7.034) 8.923 7.207 ( 3.709 -1.415 7.007) 8.053 7.496 ( 1.482 1.781 13.551) 13.747 8.666 ( -0.164 11.697 -15.540) 19.450 18.504 ( -0.213 -0.612 -1.348) 1.495 18.700 ( -0.975 -13.036 8.324) 15.498======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( 5.010 -8.471 3.397) 10.411 1.358 ( 8.836 -0.706 3.354) 9.477 1.867 ( 2.641 -1.777 2.495) 4.045 2.550 ( -4.798 -4.032 -2.307) 6.678 2.850 ( 13.901 5.498 -3.933) 15.457 4.055 ( -4.601 6.690 -0.336) 8.126 6.147 ( -3.853 3.054 -4.820) 6.884 7.303 ( 4.172 0.404 6.987) 8.148 7.585 ( 3.538 0.396 3.894) 5.276 8.704 ( -0.959 6.973 -7.141) 10.027 18.484 ( -0.448 -0.909 -2.401) 2.606 18.602 ( -0.998 -8.185 6.269) 10.358======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( 6.956 -2.552 1.025) 7.480 1.488 ( 5.836 -0.663 1.852) 6.158 1.924 ( 4.523 -1.461 3.100) 5.675 2.419 ( -6.231 -1.178 -2.062) 6.668 3.177 ( 17.933 5.542 -2.003) 18.877 3.989 ( -7.767 1.666 0.241) 7.948 6.087 ( -3.743 1.361 -2.570) 4.740 7.368 ( -1.512 -0.243 6.354) 6.536 7.636 ( 3.222 -1.410 -4.726) 5.891 8.753 ( 2.715 4.371 0.048) 5.146 18.448 ( -2.108 -0.620 -1.555) 2.692 18.559 ( 1.081 -3.806 3.010) 4.972======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 6.728 2.977 0.978) 7.422 1.565 ( 3.354 -0.250 0.489) 3.398 2.014 ( 6.287 -1.359 2.116) 6.772 2.296 ( -7.157 0.920 -1.418) 7.354 3.530 ( 17.695 1.112 -0.531) 17.738 3.828 ( -11.266 0.736 0.673) 11.310 6.034 ( -2.431 0.397 -0.859) 2.608 7.222 ( -11.098 -9.511 -1.161) 14.662 7.670 ( 2.551 1.475 -2.057) 3.594 8.903 ( 7.953 5.383 2.890) 10.029 18.397 ( -2.196 -0.585 -0.508) 2.328 18.578 ( 2.046 0.241 0.674) 2.167======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 4.712 6.492 2.601) 8.433 1.608 ( 1.709 0.189 -0.746) 1.874 2.115 ( 2.646 0.736 0.116) 2.749 2.193 ( -2.350 -0.224 -0.275) 2.377 3.514 ( -8.215 -15.353 0.213) 17.414 3.893 ( 7.662 12.214 0.588) 14.430 6.010 ( -0.511 0.175 0.713) 0.895 6.834 ( -15.026 -17.531 -5.601) 23.759 7.723 ( 0.200 3.597 1.734) 3.998 9.126 ( 8.913 6.716 1.669) 11.285 18.366 ( -0.615 -0.275 -0.164) 0.693 18.629 ( 1.638 2.840 0.386) 3.301======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 1.888 8.104 4.942) 9.678 1.625 ( 0.305 0.840 -2.304) 2.472 2.045 ( -8.790 3.648 2.331) 9.798 2.279 ( 9.817 -3.644 -2.139) 10.688 3.171 ( -11.645 -16.566 -0.760) 20.264 4.109 ( 3.371 9.931 0.258) 10.490 6.027 ( 1.348 0.365 2.686) 3.027 6.360 ( -13.858 -20.560 -6.307) 25.584 7.754 ( -2.035 3.909 3.202) 5.448 9.334 ( 6.531 7.087 -0.964) 9.685 18.370 ( 1.161 -0.126 0.107) 1.173 18.691 ( 1.162 3.980 1.507) 4.412======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( -0.898 8.333 6.842) 10.819 1.615 ( -1.808 1.941 -4.459) 5.189 1.946 ( -8.120 3.066 7.146) 11.243 2.367 ( 4.458 -6.429 -2.729) 8.286 2.832 ( -5.252 -14.615 -4.125) 16.068 4.199 ( -3.852 9.221 -0.898) 10.034 5.936 ( -9.240 -18.212 -5.826) 21.237 6.080 ( 2.499 0.100 5.795) 6.312 7.755 ( -3.503 3.544 3.399) 6.032 9.474 ( 2.639 6.507 -4.301) 8.234 18.397 ( 1.904 -0.254 0.308) 1.946 18.762 ( 1.718 3.508 3.834) 5.473======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( 0.000 -12.772 10.247) 16.374 1.120 ( 0.000 0.420 2.944) 2.974 1.825 ( 0.000 -2.050 1.711) 2.670 2.592 ( -0.000 3.656 -3.725) 5.219 2.638 ( -0.000 -4.981 -2.627) 5.632 4.139 ( 0.000 8.522 -0.126) 8.523 6.226 ( -0.000 4.614 -9.002) 10.115 7.174 ( 0.000 -2.440 8.081) 8.441 7.507 ( 0.000 -1.635 2.268) 2.796 8.762 ( -0.000 11.726 -4.536) 12.573 18.477 ( -0.000 -3.269 -2.211) 3.946 18.638 ( 0.000 -7.255 7.500) 10.435======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( 2.975 -8.046 9.322) 12.669 1.209 ( 7.935 -0.683 3.235) 8.596 1.827 ( 1.289 -1.257 2.784) 3.315 2.574 ( -2.422 -1.803 -1.836) 3.534 2.681 ( 8.089 2.935 -2.975) 9.105 4.181 ( -2.907 4.366 0.814) 5.308 6.211 ( -2.435 3.302 -8.303) 9.261 7.224 ( 4.811 -2.053 7.710) 9.317 7.501 ( 3.181 -2.988 -7.545) 8.716 8.831 ( -3.385 7.874 3.998) 9.457 18.444 ( 0.910 -2.454 -2.415) 3.562 18.596 ( -1.547 -3.853 5.697) 7.049======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( 6.375 -0.910 6.876) 9.421 1.361 ( 8.534 -1.241 2.874) 9.090 1.862 ( 2.599 -0.809 3.112) 4.135 2.505 ( -4.482 1.124 -1.477) 4.851 2.904 ( 15.404 1.782 -1.482) 15.577 4.131 ( -6.023 0.506 1.562) 6.243 6.154 ( -3.754 1.629 -5.582) 6.921 7.328 ( 4.925 -2.697 5.880) 8.131 7.489 ( 5.049 -4.623 -15.475) 16.922 8.851 ( -3.839 5.352 10.432) 12.337 18.442 ( 0.897 0.559 -3.665) 3.815 18.552 ( -1.628 -2.472 4.997) 5.807======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( 7.969 4.079 4.560) 10.046 1.484 ( 5.927 -1.145 2.027) 6.368 1.920 ( 3.928 -1.120 2.088) 4.588 2.430 ( -6.266 3.418 -0.972) 7.204 3.202 ( 17.809 -2.271 0.138) 17.954 4.008 ( -7.892 -0.773 1.767) 8.124 6.084 ( -3.459 0.529 -2.854) 4.515 7.236 ( -6.259 -12.693 -8.324) 16.418 7.557 ( 9.053 -0.217 -5.977) 10.851 8.922 ( 0.971 6.290 12.372) 13.913 18.430 ( -2.063 0.897 -2.506) 3.367 18.557 ( 1.698 0.916 2.322) 3.019======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 7.769 6.426 2.943) 10.503 1.561 ( 3.546 -0.795 1.241) 3.840 1.990 ( 5.634 -2.162 -0.026) 6.035 2.349 ( -7.799 4.919 -0.043) 9.220 3.366 ( 6.098 -13.892 1.387) 15.235 3.940 ( 0.037 5.772 1.231) 5.902 6.034 ( -1.878 0.177 -0.373) 1.923 6.863 ( -13.063 -18.931 -10.615) 25.332 7.686 ( 6.533 0.875 -2.128) 6.927 9.094 ( 5.512 7.757 9.089) 13.159 18.391 ( -2.175 0.732 -0.819) 2.437 18.624 ( 2.547 3.523 -0.152) 4.350======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 6.103 7.062 1.758) 9.498 1.606 ( 1.887 -0.243 0.610) 1.998 2.072 ( 7.837 -3.718 -2.556) 9.043 2.259 ( -8.952 5.588 1.561) 10.668 3.160 ( -7.733 -19.322 1.242) 20.849 4.106 ( 7.307 7.577 0.787) 10.556 6.024 ( 0.215 -0.211 3.065) 3.080 6.377 ( -14.857 -20.028 -9.300) 26.614 7.775 ( 3.156 0.873 -0.465) 3.308 9.305 ( 6.171 7.844 4.335) 10.881 18.372 ( -0.837 1.015 -0.225) 1.335 18.703 ( 2.181 4.038 -0.676) 4.639======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 3.597 6.231 -0.000) 7.195 1.629 ( 0.408 0.707 0.000) 0.816 2.161 ( -0.275 -0.477 0.000) 0.551 2.170 ( 0.346 0.600 -0.000) 0.693 2.804 ( -10.431 -18.068 0.000) 20.863 4.278 ( 3.595 6.227 -0.000) 7.191 5.913 ( -11.107 -19.238 0.000) 22.214 6.069 ( 1.215 2.105 -0.000) 2.431 7.811 ( 0.373 0.645 -0.000) 0.745 9.476 ( 3.871 6.705 0.000) 7.742 18.379 ( 0.504 0.874 -0.000) 1.009 18.773 ( 1.856 3.214 -0.000) 3.711======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 0.000 -4.234 12.729) 13.415 1.136 ( 0.000 -1.046 3.002) 3.179 1.820 ( 0.000 -0.353 3.350) 3.369 2.590 ( -0.000 1.424 -0.324) 1.461 2.619 ( -0.000 1.479 -2.964) 3.312 4.237 ( 0.000 0.458 1.960) 2.013 6.229 ( -0.000 3.039 -10.664) 11.089 7.189 ( 0.000 -2.702 9.697) 10.066 7.391 ( -0.000 -4.037 -16.127) 16.624 8.954 ( 0.000 4.263 10.818) 11.627 18.413 ( -0.000 0.133 -2.163) 2.167 18.597 ( 0.000 -2.722 4.173) 4.982======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( 3.746 0.940 10.651) 11.330 1.208 ( 7.733 -1.883 3.177) 8.570 1.840 ( 0.978 0.087 2.999) 3.156 2.586 ( -2.548 3.505 -0.893) 4.425 2.704 ( 8.312 1.286 -0.626) 8.434 4.203 ( -2.966 -3.656 2.666) 5.410 6.198 ( -2.110 1.991 -9.303) 9.744 7.238 ( 4.416 -2.855 8.732) 10.194 7.298 ( 2.492 -5.489 -22.228) 23.031 9.000 ( -2.835 1.460 15.647) 15.969 18.432 ( 0.907 3.738 -3.306) 5.072 18.572 ( -1.293 -2.514 3.591) 4.570======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.850 ( 6.946 3.728 6.211) 10.036 1.349 ( 8.743 -2.317 3.147) 9.576 1.871 ( 1.701 -0.360 1.326) 2.187 2.567 ( -4.417 5.194 -0.623) 6.847 2.907 ( 13.639 -0.731 1.142) 13.706 4.090 ( -4.811 -6.509 2.652) 8.517 6.136 ( -3.219 0.845 -5.679) 6.582 7.141 ( -2.425 -11.390 -17.901) 21.355 7.364 ( 9.300 -0.928 -0.817) 9.381 9.034 ( -1.494 2.126 17.755) 17.944 18.472 ( -1.125 4.613 -4.225) 6.356 18.551 ( 0.631 -0.318 2.685) 2.777======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 8.859 4.408 1.960) 10.087 1.470 ( 6.444 -2.213 3.082) 7.478 1.899 ( 2.561 -1.537 -1.222) 3.227 2.530 ( -6.241 5.811 0.096) 8.528 3.109 ( 10.701 -6.982 2.545) 13.028 3.968 ( -1.563 -4.932 1.923) 5.520 6.073 ( -2.729 0.241 -1.956) 3.366 6.833 ( -9.535 -16.602 -14.902) 24.262 7.524 ( 10.174 -0.381 -3.272) 10.694 9.138 ( 2.453 4.621 15.248) 16.121 18.446 ( -2.969 1.498 -0.856) 3.434 18.613 ( 2.698 4.527 -2.213) 5.716======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 9.281 4.219 -2.198) 10.429 1.553 ( 4.219 -1.740 3.594) 5.810 1.921 ( 3.988 -3.263 -4.188) 6.641 2.466 ( -7.532 4.599 1.172) 8.902 3.080 ( -2.617 -14.469 3.336) 15.077 4.013 ( 8.332 0.309 1.266) 8.434 6.039 ( -1.135 -0.593 2.625) 2.921 6.402 ( -13.764 -17.369 -11.052) 24.765 7.667 ( 8.014 -0.689 -3.632) 8.826 9.306 ( 4.822 5.990 9.845) 12.492 18.412 ( -2.248 1.490 -0.202) 2.704 18.695 ( 2.525 4.674 -3.783) 6.522======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( 0.000 1.971 10.401) 10.586 1.121 ( 0.000 -2.760 2.895) 3.999 1.845 ( 0.000 0.435 1.894) 1.944 2.606 ( -0.000 -0.799 -2.432) 2.560 2.693 ( 0.000 8.043 2.510) 8.426 4.179 ( 0.000 -8.462 3.212) 9.051 6.197 ( -0.000 2.003 -11.048) 11.228 7.135 ( -0.000 -5.511 -25.895) 26.475 7.203 ( 0.000 -3.355 10.122) 10.663 9.084 ( 0.000 -1.968 19.185) 19.286 18.465 ( -0.000 7.084 -4.113) 8.191 18.568 ( 0.000 -2.747 2.566) 3.758======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 3.848 2.010 6.118) 7.502 1.176 ( 8.083 -3.759 3.216) 9.476 1.855 ( 0.403 -0.061 -0.358) 0.543 2.614 ( 2.421 -0.997 -2.566) 3.666 2.808 ( 1.918 9.004 4.062) 10.062 4.064 ( -2.072 -12.550 3.077) 13.087 6.163 ( -1.582 1.355 -8.657) 8.904 6.979 ( -0.150 -7.633 -26.084) 27.178 7.240 ( 4.239 -3.078 7.247) 8.942 9.125 ( -0.646 -2.248 21.270) 21.398 18.534 ( -1.035 6.898 -4.714) 8.419 18.542 ( 0.615 -0.203 0.888) 1.099======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.935 ( 7.418 1.311 0.591) 7.556 1.311 ( 9.657 -4.207 4.030) 11.279 1.852 ( 0.685 -1.123 -3.231) 3.489 2.623 ( 0.147 -1.119 -1.831) 2.150 2.961 ( 4.349 5.913 4.578) 8.651 3.904 ( -1.042 -13.787 2.461) 14.044 6.112 ( -2.415 0.546 -4.040) 4.738 6.754 ( -5.299 -11.991 -19.784) 23.733 7.341 ( 8.340 -1.652 0.411) 8.512 9.195 ( 1.477 0.191 19.978) 20.033 18.498 ( -1.901 -1.293 1.314) 2.648 18.623 ( 1.162 9.009 -7.334) 11.674======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 9.930 0.441 -4.706) 10.998 1.439 ( 7.813 -4.141 5.142) 10.229 1.831 ( 1.099 -2.618 -6.692) 7.270 2.570 ( -2.918 -4.473 0.313) 5.350 3.049 ( -1.713 1.061 4.345) 4.790 3.836 ( 7.354 -9.337 1.851) 12.029 6.069 ( -1.944 -0.362 1.355) 2.397 6.419 ( -10.855 -13.697 -12.343) 21.396 7.482 ( 9.765 -1.142 -4.244) 10.709 9.323 ( 3.717 2.645 15.114) 15.787 18.461 ( -1.835 -0.357 1.089) 2.163 18.697 ( 1.097 7.531 -8.646) 11.518======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( 0.000 -0.257 4.654) 4.661 1.061 ( 0.000 -5.317 2.386) 5.828 1.844 ( -0.000 -0.570 -2.909) 2.964 2.553 ( -0.000 -2.593 -2.407) 3.538 2.931 ( 0.000 12.419 4.256) 13.128 3.940 ( 0.000 -17.581 3.055) 17.845 6.156 ( -0.000 1.663 -9.348) 9.495 6.814 ( -0.000 -6.331 -27.016) 27.748 7.200 ( 0.000 -4.022 8.801) 9.676 9.178 ( 0.000 -4.078 23.879) 24.225 18.521 ( 0.000 -3.154 1.360) 3.434 18.617 ( -0.000 11.644 -8.122) 14.197======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 3.773 -2.022 -0.154) 4.284 1.099 ( 9.227 -6.537 3.427) 11.816 1.817 ( 0.035 -1.744 -5.857) 6.112 2.540 ( 2.547 -3.992 -2.348) 5.286 3.065 ( -0.734 12.237 4.203) 12.960 3.754 ( -0.265 -19.928 2.834) 20.130 6.132 ( -1.062 1.205 -6.088) 6.297 6.639 ( -2.105 -7.608 -22.847) 24.173 7.220 ( 3.803 -3.457 5.068) 7.218 9.238 ( 1.193 -2.965 24.016) 24.228 18.492 ( -0.127 -3.122 0.823) 3.231 18.698 ( -0.608 12.207 -10.544) 16.142======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( 7.917 -3.124 -5.826) 10.314 1.233 ( 11.341 -7.146 4.927) 14.282 1.765 ( 0.064 -3.521 -9.098) 9.755 2.512 ( 0.651 -7.590 0.013) 7.617 3.174 ( -2.285 10.713 3.007) 11.359 3.599 ( 4.799 -17.729 2.684) 18.562 6.103 ( -1.648 0.332 -0.574) 1.776 6.408 ( -6.831 -9.494 -13.966) 18.217 7.300 ( 7.616 -1.972 -1.819) 8.075 9.340 ( 3.007 -0.572 20.314) 20.543 18.463 ( -0.032 -2.680 0.641) 2.755 18.755 ( -1.372 10.757 -12.360) 16.443======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( -0.000 -4.864 -0.472) 4.887 0.938 ( 0.000 -8.594 1.817) 8.784 1.765 ( -0.000 -3.510 -8.729) 9.408 2.474 ( -0.000 -3.201 -2.836) 4.276 3.201 ( 0.000 8.976 4.307) 9.955 3.558 ( 0.000 -19.824 2.418) 19.971 6.132 ( -0.000 1.644 -6.118) 6.335 6.510 ( -0.000 -5.644 -21.418) 22.149 7.171 ( 0.000 -4.307 6.164) 7.519 9.283 ( 0.000 -3.872 26.339) 26.622 18.460 ( -0.000 -2.884 -1.200) 3.124 18.788 ( -0.000 12.550 -12.485) 17.702======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( 3.530 -6.342 -5.201) 8.930 0.962 ( 10.912 -9.765 3.531) 15.063 1.680 ( 0.040 -6.361 -11.335) 12.998 2.437 ( 0.425 -4.458 -1.691) 4.787 3.250 ( 3.339 -8.868 7.129) 11.858 3.425 ( -2.256 -1.649 -1.291) 3.079 6.124 ( -0.591 1.213 -2.613) 2.941 6.363 ( -2.956 -5.686 -14.948) 16.264 7.177 ( 3.461 -3.459 2.044) 5.303 9.362 ( 1.981 -2.778 24.891) 25.123 18.428 ( 0.294 -2.590 -2.899) 3.898 18.847 ( -1.568 11.309 -13.604) 17.760======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( -0.000 -8.703 -3.384) 9.338 0.748 ( 0.000 -11.540 1.851) 11.688 1.547 ( -0.000 -11.011 -13.007) 17.042 2.392 ( -0.000 -2.527 -3.423) 4.255 3.062 ( 0.000 -21.119 10.144) 23.428 3.515 ( -0.000 10.177 -3.799) 10.863 6.132 ( -0.000 1.707 -3.101) 3.540 6.291 ( -0.000 -3.462 -12.646) 13.111 7.121 ( 0.000 -4.196 3.520) 5.477 9.407 ( 0.000 -3.488 26.836) 27.061 18.384 ( -0.000 -1.810 -7.569) 7.782 18.921 ( -0.000 10.220 -13.181) 16.679======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.188 ( 0.000 -0.000 8.893) 8.893 0.188 ( 0.000 -0.000 8.893) 8.893 1.020 ( 0.000 -0.000 45.150) 45.150 2.214 ( -0.000 0.000 -7.560) 7.560 2.214 ( -0.000 0.000 -7.560) 7.560 4.523 ( -0.000 0.000 -9.468) 9.468 5.951 ( -0.000 0.000 -15.719) 15.719 5.951 ( -0.000 0.000 -15.719) 15.719 7.182 ( 0.000 -0.000 12.871) 12.871 7.182 ( 0.000 -0.000 12.871) 12.871 19.122 ( -0.000 0.000 -1.803) 1.803 20.981 ( 0.000 -0.000 1.588) 1.588======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.428 ( 11.632 6.716 8.636) 15.968 0.480 ( 15.442 8.915 7.079) 19.185 1.257 ( 6.162 3.557 40.639) 41.257 2.128 ( -2.222 -1.283 -10.308) 10.622 2.363 ( 11.303 6.526 -11.286) 17.254 4.155 ( -17.621 -10.174 3.881) 20.714 5.861 ( -1.208 -0.697 -15.778) 15.840 6.167 ( 9.361 5.405 -6.497) 12.611 7.271 ( 2.171 1.254 12.624) 12.871 7.777 ( 38.708 22.348 -34.118) 56.229 18.965 ( -12.312 -7.108 1.082) 14.258 20.340 ( -37.924 -21.895 40.817) 59.864======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( 13.080 7.552 10.486) 18.387 0.813 ( 10.683 6.168 9.775) 15.740 1.561 ( 7.409 4.278 31.846) 32.975 2.038 ( -1.885 -1.089 -12.487) 12.675 2.639 ( 16.705 9.645 -10.983) 22.197 3.817 ( -13.741 -7.934 1.661) 15.954 5.778 ( -1.330 -0.768 -13.697) 13.783 6.302 ( 3.041 1.756 7.549) 8.325 7.375 ( 3.116 1.799 10.613) 11.206 8.396 ( 27.520 15.889 -43.814) 54.125 18.677 ( -11.479 -6.627 6.158) 14.615 19.828 ( -21.587 -12.463 37.650) 45.154======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 8.015 4.627 7.382) 11.838 1.098 ( 12.877 7.434 12.890) 19.678 1.802 ( 4.506 2.602 24.640) 25.184 1.951 ( -1.278 -0.738 -14.442) 14.517 3.051 ( 21.345 12.324 -8.656) 26.123 3.502 ( -13.587 -7.844 -2.285) 15.854 5.698 ( -1.818 -1.050 -9.849) 10.071 6.377 ( -0.112 -0.065 15.144) 15.145 7.491 ( 4.031 2.327 7.336) 8.688 8.778 ( 19.306 11.146 -35.653) 42.049 18.515 ( -4.761 -2.748 5.115) 7.508 19.521 ( -16.102 -9.297 25.758) 31.768======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 6.664 3.848 0.964) 7.755 1.424 ( 10.347 5.974 14.701) 18.944 1.880 ( 0.332 0.192 -15.820) 15.824 1.969 ( 3.253 1.878 20.517) 20.858 3.148 ( -13.720 -7.921 -9.163) 18.302 3.539 ( 20.483 11.826 -3.586) 23.922 5.624 ( -2.148 -1.240 -4.804) 5.407 6.411 ( -2.365 -1.365 18.923) 19.119 7.609 ( 4.314 2.491 3.333) 5.993 9.052 ( 14.608 8.434 -26.094) 31.071 18.468 ( -1.242 -0.717 2.911) 3.245 19.262 ( -12.910 -7.454 15.793) 21.718======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 5.411 3.124 -5.569) 8.370 1.616 ( 1.473 0.850 4.391) 4.709 1.908 ( 6.964 4.021 -5.120) 9.533 2.120 ( 4.041 2.333 17.073) 17.699 2.781 ( -14.470 -8.354 -11.343) 20.195 3.962 ( 16.536 9.547 -3.112) 19.345 5.570 ( -1.704 -0.984 0.686) 2.084 6.409 ( -3.929 -2.268 19.969) 20.477 7.706 ( 3.414 1.971 -0.871) 4.038 9.266 ( 10.986 6.343 -17.877) 21.921 18.453 ( -1.089 -0.629 1.319) 1.822 19.051 ( -8.894 -5.135 7.388) 12.651======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 3.873 2.236 -10.430) 11.349 1.577 ( -2.571 -1.485 -7.791) 8.338 2.103 ( 7.641 4.411 7.535) 11.603 2.283 ( 4.111 2.373 13.329) 14.149 2.413 ( -12.084 -6.976 -12.823) 18.950 4.258 ( 9.655 5.574 -2.394) 11.402 5.559 ( -0.186 -0.108 5.856) 5.860 6.380 ( -4.784 -2.762 19.365) 20.138 7.751 ( 1.234 0.713 -4.832) 5.038 9.426 ( 7.561 4.365 -11.751) 14.640 18.421 ( -1.729 -0.998 0.026) 1.997 18.907 ( -5.131 -2.962 0.924) 5.996======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 1.288 0.744 -15.790) 15.860 1.470 ( -3.662 -2.114 -9.977) 10.836 2.055 ( -12.439 -7.181 -5.356) 15.329 2.279 ( 4.578 2.643 10.269) 11.550 2.500 ( 8.650 4.994 4.906) 11.128 4.379 ( 1.347 0.778 -2.097) 2.611 5.609 ( 2.077 1.199 10.038) 10.321 6.338 ( -4.696 -2.711 18.399) 19.181 7.722 ( -1.720 -0.993 -8.173) 8.411 9.527 ( 4.335 2.503 -8.130) 9.547 18.389 ( -0.576 -0.333 -0.968) 1.174 18.807 ( -3.492 -2.016 -3.142) 5.112======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( -4.922 -2.842 -9.411) 10.994 1.363 ( -4.598 -2.655 -22.894) 23.502 1.818 ( -7.226 -4.172 3.642) 9.104 2.386 ( 1.436 0.829 10.270) 10.403 2.733 ( 10.459 6.039 1.386) 12.157 4.300 ( -7.511 -4.336 -2.446) 9.011 5.725 ( 4.183 2.415 12.623) 13.516 6.307 ( -3.694 -2.133 17.852) 18.355 7.613 ( -4.537 -2.619 -10.511) 11.744 9.568 ( 1.767 1.020 -7.245) 7.527 18.400 ( 1.860 1.074 -0.222) 2.160 18.714 ( -3.234 -1.867 -5.559) 6.697======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( -9.023 -5.209 -20.720) 23.192 1.172 ( -6.619 -3.822 -7.502) 10.710 1.724 ( -3.705 -2.139 7.266) 8.432 2.426 ( -0.826 -0.477 8.914) 8.965 2.986 ( 11.108 6.413 -0.492) 12.836 4.022 ( -15.318 -8.844 -3.348) 18.001 5.884 ( 5.105 2.947 12.981) 14.257 6.299 ( -2.688 -1.552 17.313) 17.589 7.445 ( -6.231 -3.597 -11.299) 13.395 9.560 ( 0.277 0.160 -9.208) 9.213 18.463 ( 2.031 1.173 3.637) 4.327 18.630 ( -0.902 -0.521 -7.016) 7.093======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( -9.538 -5.506 -11.665) 16.042 0.975 ( -8.481 -4.896 -4.794) 10.904 1.664 ( -4.729 -2.730 9.151) 10.656 2.422 ( -1.922 -1.110 6.574) 6.938 3.229 ( 9.361 5.405 -1.033) 10.858 3.598 ( -18.665 -10.777 -4.309) 21.980 6.038 ( 4.182 2.414 10.198) 11.283 6.302 ( -2.556 -1.476 15.772) 16.045 7.261 ( -6.002 -3.465 -9.467) 11.733 9.514 ( -0.541 -0.312 -14.688) 14.701 18.443 ( -3.752 -2.166 2.245) 4.879 18.703 ( 7.225 4.171 2.022) 8.584======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.330 ( 0.000 9.746 7.159) 12.092 0.589 ( 0.000 18.081 11.802) 21.592 1.424 ( 0.000 8.244 39.817) 40.661 2.190 ( -0.000 6.329 -14.838) 16.132 2.220 ( -0.000 3.750 -8.116) 8.940 4.169 ( -0.000 -17.869 -0.338) 17.872 5.889 ( -0.000 3.619 -15.015) 15.445 6.100 ( -0.000 16.533 -12.096) 20.485 7.238 ( 0.000 -2.079 12.011) 12.190 7.707 ( -0.000 34.453 -20.477) 40.079 18.969 ( -0.000 -12.904 0.461) 12.913 20.469 ( 0.000 -38.994 31.337) 50.025======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( 13.881 8.462 7.324) 17.830 0.833 ( 3.806 11.810 15.530) 19.878 1.672 ( 2.174 8.560 32.595) 33.770 2.081 ( -6.413 5.036 -12.353) 14.801 2.428 ( 13.837 9.731 -11.796) 20.623 3.918 ( -8.857 -13.045 -0.679) 15.782 5.817 ( -4.980 5.858 -13.967) 15.943 6.297 ( 5.010 9.841 1.481) 11.142 7.324 ( 5.955 -2.736 10.445) 12.331 8.067 ( 15.289 25.636 -34.608) 45.702 18.771 ( -7.015 -11.859 3.906) 14.321 20.096 ( -14.059 -26.178 33.805) 45.008======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.955 ( 12.715 6.117 7.167) 15.825 1.066 ( 6.192 7.758 16.898) 19.597 1.861 ( 1.370 2.110 16.407) 16.599 2.003 ( -5.002 8.492 -5.963) 11.519 2.797 ( 18.765 14.146 -8.980) 25.157 3.617 ( -11.212 -10.856 -3.053) 15.902 5.748 ( -4.709 6.201 -10.962) 13.446 6.448 ( 0.551 5.329 13.731) 14.739 7.441 ( 5.867 -1.300 8.032) 10.031 8.438 ( 18.349 16.011 -36.786) 44.116 18.583 ( -5.433 -6.052 5.003) 9.549 19.747 ( -13.783 -18.346 26.449) 35.016======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 6.391 2.022 4.412) 8.025 1.362 ( 10.476 6.665 16.055) 20.296 1.861 ( -1.913 2.298 -9.448) 9.910 2.073 ( -0.975 8.597 13.117) 15.713 3.185 ( 4.387 0.717 -12.634) 13.394 3.362 ( 3.406 3.080 0.004) 4.592 5.695 ( -4.824 6.220 -6.430) 10.163 6.528 ( -2.824 2.335 20.305) 20.633 7.557 ( 5.266 0.386 4.421) 6.887 8.753 ( 17.533 10.081 -30.823) 36.866 18.497 ( -2.212 -2.041 3.639) 4.722 19.437 ( -12.359 -14.621 17.443) 25.899======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 5.142 0.620 -2.102) 5.589 1.592 ( 4.402 -0.165 7.956) 9.094 1.870 ( 2.606 7.863 -3.983) 9.191 2.199 ( 0.171 8.744 11.894) 14.763 2.893 ( -13.133 -9.130 -11.921) 19.948 3.745 ( 18.079 10.474 -2.355) 21.026 5.660 ( -4.757 6.419 -1.166) 8.074 6.551 ( -5.099 0.174 22.967) 23.527 7.658 ( 4.087 1.422 0.097) 4.328 9.020 ( 15.412 6.077 -22.905) 28.269 18.470 ( -1.094 -0.957 2.022) 2.490 19.164 ( -9.624 -11.090 9.104) 17.277======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 4.199 -0.985 -8.826) 9.824 1.593 ( -1.903 0.076 -5.132) 5.475 2.053 ( 7.113 5.489 8.171) 12.145 2.339 ( 0.647 8.952 10.005) 13.441 2.534 ( -13.544 -5.617 -12.989) 19.588 4.097 ( 13.798 5.539 -2.496) 15.076 5.656 ( -3.924 6.944 3.943) 8.898 6.530 ( -6.421 -1.262 23.436) 24.332 7.718 ( 1.892 1.381 -4.223) 4.829 9.236 ( 12.490 2.920 -15.909) 20.435 18.440 ( -1.705 -1.477 0.748) 2.376 18.959 ( -5.888 -7.233 2.179) 9.577======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.335 ( 2.055 -3.794 -14.097) 14.743 1.538 ( -3.272 3.329 -8.226) 9.459 2.163 ( -8.492 -5.571 -6.946) 12.304 2.275 ( 2.961 2.452 9.225) 9.994 2.508 ( 1.004 12.111 3.869) 12.754 4.300 ( 7.107 0.192 -2.627) 7.579 5.697 ( -2.159 7.489 8.092) 11.235 6.484 ( -6.722 -1.881 23.114) 24.145 7.712 ( -1.068 0.216 -7.940) 8.014 9.390 ( 9.042 0.470 -11.195) 14.398 18.395 ( -1.411 -1.303 -0.339) 1.950 18.824 ( -3.327 -4.474 -2.343) 6.048======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( -1.192 -5.647 -16.102) 17.106 1.471 ( -5.910 5.288 -12.027) 14.406 1.921 ( -8.709 -3.810 -1.065) 9.566 2.422 ( 3.308 3.671 8.535) 9.862 2.668 ( 4.137 9.382 1.976) 10.442 4.319 ( -1.156 -4.823 -2.938) 5.764 5.789 ( 0.129 7.386 10.623) 12.939 6.439 ( -5.942 -1.726 22.812) 23.636 7.627 ( -3.984 -1.544 -10.527) 11.361 9.475 ( 5.520 -1.005 -9.433) 10.976 18.381 ( 0.939 0.386 -0.353) 1.075 18.722 ( -2.808 -3.359 -4.513) 6.287======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -4.608 -5.511 -14.886) 16.529 1.340 ( -10.118 5.742 -12.174) 16.839 1.793 ( -4.208 -2.133 5.294) 7.091 2.502 ( -1.677 3.441 7.523) 8.441 2.865 ( 8.905 6.866 -0.782) 11.272 4.142 ( -9.913 -8.763 -3.362) 13.651 5.918 ( 2.075 6.011 11.004) 12.709 6.415 ( -4.680 -1.484 22.178) 22.715 7.475 ( -5.930 -2.842 -11.307) 13.080 9.495 ( 2.498 -1.224 -10.857) 11.208 18.441 ( 3.820 2.521 2.369) 5.153 18.623 ( -2.788 -2.935 -5.315) 6.681======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -7.113 -3.304 -7.931) 11.154 1.162 ( -12.294 5.223 -7.949) 15.544 1.740 ( -3.203 -1.947 7.949) 8.789 2.497 ( -4.060 1.405 5.377) 6.883 3.097 ( 10.937 5.460 -1.675) 12.339 3.792 ( -17.097 -10.517 -3.852) 20.439 6.047 ( 2.718 3.300 8.696) 9.690 6.401 ( -3.918 -2.483 19.752) 20.290 7.301 ( -6.188 -2.196 -8.945) 11.096 9.460 ( 0.028 -0.418 -15.652) 15.657 18.497 ( -3.589 -1.075 1.062) 3.894 18.616 ( 7.601 2.738 2.657) 8.505======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 0.000 10.884 7.458) 13.195 0.972 ( 0.000 7.528 20.122) 21.484 1.835 ( 0.000 4.757 22.001) 22.510 2.246 ( -0.000 5.112 -8.722) 10.110 2.317 ( -0.000 20.090 -9.800) 22.353 3.847 ( -0.000 -14.450 -2.800) 14.719 5.881 ( -0.000 5.949 -13.196) 14.475 6.396 ( 0.000 17.408 2.072) 17.531 7.270 ( 0.000 -3.090 10.438) 10.886 8.075 ( -0.000 22.297 -31.346) 38.467 18.719 ( 0.000 -11.923 4.120) 12.615 20.043 ( 0.000 -28.572 29.125) 40.800======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 10.744 8.226 7.269) 15.360 1.119 ( 2.596 2.695 20.999) 21.330 1.907 ( -0.503 0.272 6.679) 6.703 2.200 ( -5.671 10.429 -3.706) 12.436 2.660 ( 12.229 20.622 -4.459) 24.387 3.637 ( -6.108 -12.860 -4.333) 14.881 5.862 ( -3.842 7.787 -11.725) 14.590 6.591 ( -0.679 14.175 12.514) 18.921 7.336 ( 6.281 -3.014 8.809) 11.231 8.232 ( 9.083 16.604 -34.076) 38.979 18.605 ( -2.817 -7.467 4.543) 9.183 19.804 ( -6.909 -24.769 23.823) 35.053======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 7.339 2.230 5.898) 9.676 1.304 ( 8.572 1.785 18.220) 20.215 1.895 ( -1.732 1.508 -2.304) 3.253 2.242 ( -2.238 11.482 1.857) 11.844 3.037 ( 10.824 10.616 -7.086) 16.735 3.397 ( -5.671 -4.273 -3.026) 7.718 5.833 ( -4.602 8.772 -8.534) 13.075 6.723 ( -4.575 9.098 21.159) 23.482 7.463 ( 7.146 -1.470 6.479) 9.757 8.458 ( 14.558 11.656 -33.125) 38.014 18.524 ( -2.131 -3.112 3.731) 5.305 19.510 ( -8.944 -20.937 17.058) 28.448======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 4.211 -1.711 1.578) 4.812 1.519 ( 7.209 -1.159 10.256) 12.590 1.903 ( 0.832 4.379 0.551) 4.491 2.353 ( -0.677 13.438 3.234) 13.838 2.948 ( -8.598 -9.503 -12.288) 17.754 3.573 ( 12.942 12.460 -0.568) 17.974 5.817 ( -4.679 8.856 -4.228) 10.872 6.777 ( -7.470 5.785 25.029) 26.752 7.588 ( 5.678 0.352 2.686) 6.291 8.710 ( 16.328 6.981 -27.176) 32.463 18.488 ( -1.289 -1.206 2.400) 2.979 19.218 ( -8.318 -16.742 9.970) 21.187======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 3.495 -3.193 -5.491) 7.250 1.586 ( 1.173 -1.169 -0.203) 1.668 2.017 ( 5.284 2.512 7.844) 9.786 2.482 ( -2.438 8.289 5.366) 10.171 2.665 ( -9.416 1.195 -13.477) 16.484 3.901 ( 13.580 6.179 -1.935) 15.045 5.819 ( -4.129 8.493 0.065) 9.443 6.772 ( -9.510 4.067 26.366) 28.322 7.677 ( 3.226 1.354 -2.047) 4.054 8.950 ( 15.514 2.659 -19.900) 25.373 18.458 ( -1.712 -1.389 1.375) 2.598 18.976 ( -5.710 -11.749 3.423) 13.505======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 2.250 -3.837 -11.455) 12.288 1.577 ( -0.941 1.448 -4.025) 4.380 2.148 ( 4.024 -0.578 2.098) 4.575 2.326 ( -7.448 -5.275 0.304) 9.131 2.711 ( -3.275 19.842 -0.394) 20.114 4.132 ( 10.416 -0.372 -2.661) 10.757 5.846 ( -2.782 7.667 3.465) 8.861 6.730 ( -10.624 3.341 26.694) 28.924 7.702 ( -0.053 0.805 -6.378) 6.429 9.147 ( 13.184 -0.535 -14.097) 19.309 18.411 ( -2.105 -1.702 0.685) 2.792 18.813 ( -2.865 -7.142 -1.434) 7.828======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( 0.038 -3.111 -13.749) 14.097 1.554 ( -2.515 3.469 -6.671) 7.929 2.028 ( -8.457 -2.733 -5.060) 10.227 2.365 ( 7.143 -0.026 6.814) 9.872 2.833 ( -4.852 17.501 1.757) 18.246 4.224 ( 4.670 -5.496 -3.001) 7.812 5.901 ( -0.817 6.133 5.564) 8.321 6.675 ( -10.516 2.765 26.397) 28.549 7.643 ( -3.319 -0.792 -9.250) 9.859 9.288 ( 9.825 -1.968 -11.022) 14.896 18.376 ( -0.383 -0.385 0.388) 0.667 18.709 ( -1.866 -4.410 -3.712) 6.059======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( -2.817 -0.803 -11.476) 11.844 1.497 ( -5.881 5.000 -9.452) 12.203 1.873 ( -5.840 -1.433 1.488) 6.195 2.517 ( 6.562 0.990 3.992) 7.744 2.908 ( -3.993 12.872 0.810) 13.502 4.158 ( -3.047 -8.434 -3.040) 9.469 5.977 ( 1.132 3.905 6.279) 7.480 6.616 ( -9.211 0.621 24.515) 26.196 7.515 ( -5.609 -1.431 -9.479) 11.107 9.367 ( 6.012 -1.535 -11.019) 12.646 18.407 ( 3.088 1.659 1.529) 3.825 18.623 ( -2.370 -2.857 -3.811) 5.320======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( -5.458 2.423 -4.472) 7.460 1.383 ( -9.416 5.941 -8.758) 14.165 1.801 ( -3.105 -1.249 5.965) 6.839 2.595 ( -1.391 1.028 3.222) 3.657 2.997 ( 4.214 6.911 -2.058) 8.352 3.935 ( -11.361 -8.374 -2.883) 14.405 6.056 ( 2.126 1.452 5.294) 5.886 6.536 ( -7.306 -4.911 19.354) 21.262 7.376 ( -6.315 1.203 -5.413) 8.404 9.385 ( 2.227 0.256 -14.058) 14.235 18.517 ( 4.021 -0.981 -0.995) 4.257 18.554 ( -0.135 2.475 3.668) 4.427======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( 0.000 8.053 7.557) 11.044 1.175 ( 0.000 -2.490 21.219) 21.365 1.929 ( 0.000 -0.744 3.391) 3.472 2.298 ( -0.000 6.647 -8.873) 11.086 2.796 ( 0.000 24.489 0.928) 24.507 3.546 ( -0.000 -11.264 -5.014) 12.330 5.927 ( -0.000 7.584 -11.760) 13.993 6.828 ( 0.000 18.650 15.862) 24.483 7.273 ( 0.000 -3.761 9.418) 10.141 8.187 ( -0.000 14.006 -33.338) 36.161 18.575 ( 0.000 -5.773 4.134) 7.100 19.683 ( 0.000 -26.193 19.980) 32.944======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 6.578 4.000 6.688) 10.198 1.241 ( 4.576 -4.740 18.218) 19.373 1.921 ( -0.770 -0.619 1.362) 1.683 2.345 ( 0.887 8.609 -6.782) 10.996 3.008 ( 1.966 7.237 -3.810) 8.411 3.439 ( -2.097 2.985 -2.545) 4.448 5.943 ( -2.141 8.196 -10.358) 13.380 7.014 ( -5.798 13.585 21.954) 26.460 7.346 ( 7.053 -1.746 9.149) 11.683 8.260 ( 7.503 12.302 -33.655) 36.610 18.534 ( -1.053 -2.941 3.316) 4.555 19.454 ( -4.146 -24.345 15.350) 29.077======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 2.901 -3.615 4.859) 6.715 1.395 ( 9.298 -2.642 11.108) 14.725 1.920 ( 0.602 0.126 3.011) 3.073 2.462 ( 3.238 11.696 -4.055) 12.795 2.917 ( -4.450 -9.589 -9.569) 14.259 3.572 ( 3.629 15.566 0.008) 15.984 5.947 ( -2.906 7.971 -7.147) 11.094 7.086 ( -7.730 8.734 23.663) 26.381 7.496 ( 6.554 0.237 7.593) 10.033 8.431 ( 12.346 9.658 -29.502) 33.407 18.506 ( -1.122 -1.160 2.167) 2.702 19.188 ( -5.557 -20.517 10.170) 23.564======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 2.550 -5.947 -0.912) 6.535 1.524 ( 4.879 -2.035 3.613) 6.403 1.976 ( 3.737 -0.604 6.797) 7.780 2.594 ( -3.758 0.668 0.963) 3.937 2.747 ( 0.713 7.205 -12.386) 14.347 3.788 ( 6.330 9.156 -0.925) 11.170 5.950 ( -2.935 6.705 -3.306) 8.031 7.106 ( -9.555 7.691 24.289) 27.210 7.619 ( 4.540 1.089 2.103) 5.120 8.641 ( 14.080 4.866 -22.047) 26.608 18.481 ( -1.554 -0.965 1.301) 2.244 18.945 ( -4.617 -15.237 4.868) 16.649======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 2.599 -5.033 -6.709) 8.780 1.569 ( 1.571 -0.185 -0.573) 1.683 2.068 ( 5.104 -1.627 5.333) 7.559 2.403 ( -8.094 -5.706 -3.031) 10.357 2.940 ( 1.690 20.372 -3.011) 20.663 3.952 ( 7.597 0.411 -1.877) 7.836 5.957 ( -2.209 4.823 -0.065) 5.305 7.089 ( -11.705 7.503 24.535) 28.200 7.679 ( 1.394 0.711 -3.735) 4.050 8.846 ( 14.218 0.658 -15.283) 20.884 18.438 ( -2.385 -1.459 1.134) 3.017 18.771 ( -2.243 -9.460 0.130) 9.723======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( 1.886 -1.796 -9.263) 9.622 1.582 ( -0.039 1.448 -2.787) 3.141 2.102 ( -3.056 -1.007 -4.544) 5.568 2.278 ( 1.893 -3.214 5.153) 6.361 3.124 ( -4.298 20.827 0.104) 21.266 4.043 ( 7.271 -6.458 -2.448) 10.029 5.972 ( -0.833 2.821 2.108) 3.619 7.028 ( -13.272 5.361 23.674) 27.665 7.653 ( -1.948 -0.464 -7.109) 7.385 9.031 ( 12.732 -0.775 -11.083) 16.898 18.390 ( -1.683 -0.941 1.142) 2.241 18.672 ( -0.739 -4.958 -2.593) 5.644======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 0.104 2.553 -7.421) 7.848 1.573 ( -1.916 2.668 -5.019) 5.998 1.976 ( -6.822 0.028 -2.317) 7.205 2.382 ( 8.580 -1.768 3.206) 9.329 3.191 ( -9.563 16.003 0.750) 18.658 4.057 ( 3.805 -8.269 -2.390) 9.411 6.001 ( 0.776 1.153 3.245) 3.530 6.899 ( -13.239 -1.756 19.573) 23.695 7.572 ( -4.355 1.212 -5.535) 7.147 9.183 ( 9.479 0.232 -9.835) 13.661 18.384 ( 1.125 0.199 1.353) 1.771 18.616 ( -0.860 -1.721 -2.721) 3.333======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -2.359 6.453 -2.016) 7.160 1.526 ( -4.807 3.855 -6.709) 9.110 1.877 ( -4.687 0.115 2.839) 5.481 2.526 ( 8.247 -1.603 0.676) 8.428 3.128 ( -9.909 6.687 -1.012) 11.997 3.989 ( -3.359 -4.527 -1.909) 5.951 6.043 ( 1.835 0.035 3.015) 3.529 6.678 ( -11.054 -11.623 13.285) 20.827 7.506 ( -5.725 5.538 -0.084) 7.965 9.286 ( 5.220 2.380 -11.233) 12.613 18.437 ( 3.785 -0.708 0.848) 3.943 18.596 ( -0.517 2.331 0.845) 2.533======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 0.000 4.162 6.812) 7.983 1.190 ( 0.000 -9.435 16.070) 18.635 1.920 ( 0.000 -2.020 2.442) 3.169 2.378 ( -0.000 7.475 -8.433) 11.269 2.993 ( -0.000 -6.143 -5.403) 8.181 3.546 ( 0.000 15.907 -0.609) 15.919 6.000 ( -0.000 7.952 -11.430) 13.924 7.266 ( 0.000 -3.732 9.548) 10.251 7.318 ( 0.000 12.738 24.670) 27.765 8.205 ( -0.000 14.492 -32.686) 35.755 18.529 ( 0.000 -1.868 2.436) 3.070 19.295 ( 0.000 -24.267 12.919) 27.492======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( -0.017 -5.058 7.365) 8.934 1.236 ( 9.107 -4.503 10.572) 14.662 1.910 ( 0.505 -2.364 3.765) 4.474 2.462 ( 4.490 8.388 -7.481) 12.103 2.856 ( -3.001 -10.010 -6.436) 12.273 3.718 ( -0.258 17.403 -0.262) 17.407 6.026 ( -1.125 7.422 -10.273) 12.723 7.274 ( 0.232 -1.174 12.062) 12.121 7.496 ( 0.721 4.526 17.403) 17.996 8.301 ( 4.769 16.239 -25.254) 30.401 18.516 ( -0.553 -1.019 1.249) 1.704 19.083 ( -2.501 -21.247 9.964) 23.600======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( 1.030 -8.902 4.079) 9.846 1.403 ( 8.593 -2.211 5.945) 10.681 1.929 ( 2.483 -2.526 5.996) 6.964 2.634 ( 1.001 1.770 -1.079) 2.302 2.690 ( 3.600 0.876 -11.014) 11.620 3.859 ( -0.977 12.497 -0.330) 12.539 6.034 ( -1.834 5.813 -6.994) 9.277 7.326 ( -0.163 1.199 13.387) 13.442 7.588 ( 2.072 1.333 6.464) 6.918 8.467 ( 5.756 12.276 -15.328) 20.464 18.497 ( -0.934 -0.913 0.178) 1.318 18.874 ( -3.168 -16.219 6.642) 17.810======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 2.546 -6.604 -0.302) 7.084 1.514 ( 4.566 -1.106 2.318) 5.238 1.986 ( 4.269 -2.748 6.357) 8.136 2.467 ( -6.861 -4.777 -4.175) 9.345 2.971 ( 12.742 13.406 -4.274) 18.982 3.923 ( -1.744 5.093 -0.394) 5.398 6.028 ( -2.058 3.531 -3.337) 5.276 7.372 ( -3.703 3.265 14.825) 15.626 7.641 ( 2.237 -0.210 -2.781) 3.575 8.628 ( 7.307 6.630 -8.454) 12.993 18.465 ( -1.662 -1.214 -0.108) 2.061 18.711 ( -2.040 -10.324 3.061) 10.960======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 3.455 -1.209 -2.932) 4.690 1.568 ( 2.008 0.174 0.059) 2.016 2.060 ( 4.507 -1.890 3.293) 5.893 2.303 ( -6.086 -2.486 -2.195) 6.931 3.306 ( 8.395 16.926 -1.256) 18.935 3.899 ( -0.890 -4.185 -0.738) 4.341 6.014 ( -1.439 1.462 -0.592) 2.135 7.340 ( -9.387 0.142 13.723) 16.627 7.641 ( 0.681 -0.179 -5.909) 5.951 8.803 ( 9.765 4.147 -5.217) 11.823 18.417 ( -2.108 -1.332 0.464) 2.536 18.624 ( -0.189 -4.730 -0.104) 4.735======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 3.052 4.503 -2.821) 6.128 1.591 ( 0.318 1.091 -1.649) 2.002 2.079 ( -3.917 1.600 -2.816) 5.082 2.243 ( 4.193 -3.454 2.878) 6.148 3.515 ( -7.243 16.640 0.544) 18.156 3.854 ( 7.430 -9.914 -1.450) 12.474 6.008 ( -0.124 0.221 1.048) 1.078 7.129 ( -13.215 -10.335 7.898) 18.542 7.643 ( -1.367 4.113 -0.909) 4.428 9.002 ( 9.816 4.695 -5.115) 12.024 18.381 ( -0.683 -0.983 0.742) 1.408 18.601 ( 0.503 -0.345 -1.161) 1.312======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 1.372 8.405 -0.522) 8.532 1.587 ( -1.489 1.906 -3.275) 4.072 1.991 ( -6.419 2.345 -0.064) 6.834 2.345 ( 9.204 -3.271 0.521) 9.782 3.377 ( -14.131 -1.094 -0.695) 14.191 3.952 ( 5.274 2.346 -0.885) 5.840 6.023 ( 1.173 -0.093 1.411) 1.837 6.772 ( -13.027 -18.648 5.960) 23.515 7.659 ( -3.432 6.440 2.525) 7.722 9.183 ( 7.076 6.068 -6.831) 11.556 18.383 ( 1.642 -0.990 0.609) 2.012 18.622 ( 0.752 2.986 0.219) 3.087======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 0.000 -13.581 11.760) 17.965 1.122 ( 0.000 1.156 6.070) 6.179 1.891 ( 0.000 -3.247 4.638) 5.662 2.464 ( -0.000 6.910 -7.641) 10.302 2.766 ( -0.000 -8.994 -5.136) 10.358 3.892 ( 0.000 15.870 -0.128) 15.870 6.065 ( -0.000 7.068 -12.343) 14.224 7.270 ( 0.000 -3.307 10.775) 11.271 7.557 ( 0.000 -1.461 5.680) 5.865 8.400 ( -0.000 21.349 -10.120) 23.626 18.512 ( -0.000 -1.356 -0.095) 1.359 18.938 ( 0.000 -18.633 9.322) 20.834======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -0.924 -11.696 9.337) 14.994 1.246 ( 8.972 -1.444 6.506) 11.177 1.888 ( 1.301 -3.170 6.008) 6.917 2.564 ( 7.044 6.860 -7.033) 12.089 2.645 ( -2.886 -6.264 -4.238) 8.095 4.017 ( -1.999 12.058 0.414) 12.230 6.080 ( -0.631 5.834 -11.346) 12.773 7.308 ( 3.202 -2.647 10.597) 11.382 7.545 ( 2.468 -3.582 -5.705) 7.174 8.578 ( -1.502 18.069 0.876) 18.152 18.490 ( -0.131 -2.170 -1.365) 2.567 18.792 ( -1.708 -13.582 8.052) 15.882======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 1.763 -7.655 7.131) 10.609 1.404 ( 7.913 -1.617 4.835) 9.413 1.918 ( 2.882 -2.964 6.639) 7.821 2.513 ( -4.826 -3.031 -4.381) 7.189 2.802 ( 14.426 7.260 -4.469) 16.757 4.058 ( -4.821 7.180 1.016) 8.708 6.075 ( -1.436 3.701 -7.770) 8.725 7.395 ( 4.579 -1.420 9.027) 10.221 7.534 ( 4.394 -4.588 -12.554) 14.069 8.702 ( -3.086 12.634 6.391) 14.491 18.458 ( -0.036 -2.269 -2.180) 3.147 18.672 ( -2.367 -8.256 6.210) 10.598======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 4.078 -1.071 4.482) 6.154 1.514 ( 4.628 -0.814 2.796) 5.468 1.973 ( 4.152 -2.800 5.535) 7.464 2.387 ( -6.110 -0.118 -3.750) 7.170 3.153 ( 18.539 6.692 -2.147) 19.827 3.998 ( -8.151 2.273 1.324) 8.565 6.049 ( -1.834 1.587 -3.963) 4.646 7.427 ( -2.441 -7.371 0.294) 7.770 7.542 ( 7.304 -1.023 -7.932) 10.831 8.800 ( -0.550 9.538 7.744) 12.298 18.427 ( -0.696 -1.447 -2.029) 2.587 18.598 ( -1.184 -3.764 3.784) 5.466======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 5.096 4.763 1.905) 7.230 1.575 ( 2.175 0.017 1.216) 2.492 2.045 ( 5.198 -2.395 3.145) 6.530 2.273 ( -6.541 1.693 -2.523) 7.212 3.522 ( 17.898 1.859 -0.741) 18.010 3.839 ( -11.675 1.269 1.193) 11.804 6.022 ( -1.145 0.404 -1.284) 1.767 7.195 ( -9.004 -15.892 -4.029) 18.704 7.647 ( 4.959 2.264 -1.598) 5.681 8.946 ( 3.901 9.219 4.688) 11.053 18.390 ( -1.350 -0.963 -0.762) 1.825 18.588 ( 0.837 0.327 1.076) 1.401======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 4.633 8.024 -0.000) 9.265 1.602 ( 0.416 0.721 0.000) 0.833 2.115 ( 0.893 1.547 -0.000) 1.786 2.191 ( -0.725 -1.256 -0.000) 1.450 3.515 ( -8.639 -14.964 -0.000) 17.279 3.897 ( 7.315 12.670 -0.000) 14.630 6.015 ( 0.221 0.383 0.000) 0.442 6.802 ( -12.608 -21.837 -0.000) 25.215 7.733 ( 1.881 3.259 -0.000) 3.763 9.135 ( 5.468 9.471 0.000) 10.936 18.365 ( -0.290 -0.502 -0.000) 0.579 18.631 ( 1.735 3.005 -0.000) 3.470======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 0.000 -12.237 14.012) 18.603 1.169 ( 0.000 -0.666 5.823) 5.861 1.869 ( 0.000 -2.870 6.518) 7.122 2.534 ( -0.000 5.227 -6.666) 8.471 2.606 ( -0.000 -3.559 -3.283) 4.842 4.147 ( 0.000 9.040 1.467) 9.158 6.093 ( -0.000 5.490 -14.032) 15.067 7.292 ( 0.000 -3.107 12.453) 12.835 7.429 ( -0.000 -5.455 -15.444) 16.379 8.792 ( 0.000 15.461 9.112) 17.946 18.453 ( -0.000 -3.526 -1.928) 4.019 18.724 ( 0.000 -8.943 7.733) 11.823======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.371 -7.472 14.500) 16.316 1.261 ( 7.983 -1.781 6.064) 10.182 1.879 ( 1.305 -2.414 6.453) 7.012 2.543 ( -2.387 -0.146 -4.120) 4.764 2.641 ( 8.227 4.288 -4.014) 10.109 4.199 ( -3.054 4.939 2.375) 6.274 6.091 ( -0.232 4.230 -12.741) 13.427 7.310 ( 2.896 -4.199 -7.254) 8.868 7.362 ( 3.953 -4.900 -1.892) 6.574 8.931 ( -3.663 10.765 12.796) 17.119 18.418 ( 0.501 -2.488 -2.070) 3.275 18.665 ( -1.569 -5.572 6.382) 8.616======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 3.300 -1.384 11.426) 11.973 1.408 ( 7.801 -1.895 5.392) 9.671 1.909 ( 2.416 -2.472 5.077) 6.142 2.479 ( -4.566 2.491 -3.252) 6.135 2.882 ( 15.901 3.294 -2.325) 16.404 4.156 ( -6.349 0.919 2.728) 6.971 6.074 ( -1.077 2.431 -8.432) 8.842 7.260 ( 4.916 -8.109 -23.881) 25.695 7.421 ( 4.632 -2.944 9.296) 10.795 8.994 ( -4.773 7.953 14.273) 17.022 18.407 ( 0.568 -0.056 -2.617) 2.678 18.609 ( -1.849 -3.400 5.081) 6.387======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( 5.625 3.149 6.212) 8.953 1.520 ( 4.890 -1.230 4.248) 6.593 1.948 ( 3.595 -3.163 2.728) 5.511 2.412 ( -6.209 4.845 -2.257) 8.193 3.199 ( 18.168 -0.955 -0.560) 18.202 4.030 ( -8.402 -0.695 2.296) 8.738 6.044 ( -1.506 1.116 -4.122) 4.528 7.100 ( -2.323 -14.798 -16.047) 21.952 7.530 ( 7.612 -0.784 1.298) 7.761 9.060 ( -1.889 8.137 12.197) 14.783 18.404 ( -0.912 1.089 -2.140) 2.569 18.586 ( 0.211 -0.617 2.766) 2.842======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( 0.000 -5.527 19.022) 19.809 1.184 ( 0.000 -2.081 5.761) 6.125 1.870 ( 0.000 -1.815 5.413) 5.709 2.571 ( -0.000 2.907 -5.754) 6.447 2.584 ( -0.000 3.135 -0.823) 3.241 4.267 ( 0.000 0.879 3.377) 3.490 6.081 ( -0.000 4.245 -15.311) 15.889 7.157 ( -0.000 -6.249 -24.801) 25.576 7.322 ( 0.000 -3.670 13.538) 14.027 9.103 ( 0.000 6.556 15.061) 16.426 18.390 ( -0.000 -0.345 -1.690) 1.725 18.652 ( 0.000 -4.329 5.400) 6.921======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 1.194 -2.267 16.473) 16.671 1.261 ( 7.969 -2.938 6.423) 10.649 1.876 ( 0.836 -1.843 3.168) 3.759 2.563 ( -1.936 3.876 -3.514) 5.579 2.694 ( 7.893 3.967 -0.990) 8.889 4.239 ( -3.172 -3.535 3.685) 6.011 6.069 ( 0.288 3.452 -13.138) 13.587 7.020 ( 2.585 -6.751 -27.069) 28.018 7.359 ( 2.752 -4.317 12.361) 13.380 9.181 ( -3.002 3.765 16.219) 16.919 18.400 ( 0.514 2.561 -2.291) 3.474 18.619 ( -1.138 -3.686 4.584) 5.992======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( 4.299 0.078 9.715) 10.624 1.405 ( 8.372 -3.014 6.880) 11.248 1.881 ( 1.507 -2.598 0.204) 3.011 2.552 ( -3.777 5.687 -2.272) 7.195 2.913 ( 13.457 1.436 0.028) 13.534 4.123 ( -5.251 -6.687 3.181) 9.078 6.058 ( -0.499 2.216 -7.747) 8.073 6.892 ( 2.117 -9.806 -24.785) 26.738 7.416 ( 4.580 -3.998 7.881) 9.953 9.220 ( -2.926 3.897 15.347) 16.102 18.431 ( -0.282 4.351 -2.931) 5.253 18.584 ( -0.427 -2.524 3.278) 4.159======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 0.000 -3.279 18.291) 18.583 1.167 ( 0.000 -3.921 5.488) 6.745 1.859 ( 0.000 -1.737 0.341) 1.770 2.563 ( -0.000 0.371 -5.373) 5.386 2.719 ( 0.000 9.597 2.082) 9.820 4.219 ( 0.000 -8.659 4.010) 9.543 6.048 ( -0.000 4.019 -15.011) 15.540 6.835 ( -0.000 -6.156 -27.421) 28.103 7.337 ( 0.000 -4.947 13.272) 14.164 9.289 ( 0.000 0.729 17.259) 17.275 18.425 ( -0.000 5.194 -2.839) 5.919 18.606 ( 0.000 -3.930 4.029) 5.629======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 1.214 -3.537 12.692) 13.231 1.233 ( 8.928 -4.967 7.228) 12.515 1.838 ( 0.306 -2.266 -2.806) 3.620 2.572 ( 2.834 -0.267 -5.097) 5.838 2.845 ( 1.790 10.335 2.653) 10.820 4.102 ( -2.322 -12.912 3.708) 13.633 6.046 ( 0.889 3.606 -11.678) 12.254 6.686 ( 1.095 -6.401 -26.181) 26.974 7.348 ( 1.897 -5.580 11.259) 12.709 9.339 ( -1.501 0.329 17.062) 17.131 18.477 ( 0.236 7.058 -4.251) 8.243 18.573 ( -0.714 -3.910 3.623) 5.377======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( 0.000 -6.600 14.656) 16.073 1.102 ( 0.000 -6.597 5.038) 8.301 1.797 ( -0.000 -2.673 -5.596) 6.201 2.508 ( -0.000 -1.616 -5.756) 5.979 2.969 ( 0.000 12.777 2.499) 13.019 3.979 ( 0.000 -17.902 3.947) 18.332 6.029 ( -0.000 4.505 -12.935) 13.697 6.530 ( -0.000 -4.962 -23.862) 24.373 7.316 ( 0.000 -6.274 11.655) 13.236 9.410 ( 0.000 -1.030 17.660) 17.690 18.513 ( -0.000 2.221 -4.572) 5.083 18.573 ( 0.000 1.858 2.409) 3.042======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.290 ( 0.000 -0.000 9.415) 9.415 0.290 ( 0.000 -0.000 9.415) 9.415 1.510 ( 0.000 -0.000 43.229) 43.229 2.112 ( -0.000 0.000 -10.683) 10.683 2.112 ( -0.000 0.000 -10.683) 10.683 4.393 ( -0.000 0.000 -13.953) 13.953 5.775 ( -0.000 0.000 -15.625) 15.625 5.775 ( -0.000 0.000 -15.625) 15.625 7.323 ( 0.000 -0.000 12.277) 12.277 7.323 ( 0.000 -0.000 12.277) 12.277 19.099 ( -0.000 0.000 -2.162) 2.162 21.001 ( 0.000 -0.000 1.901) 1.901======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.530 ( 12.053 6.959 9.558) 16.884 0.570 ( 16.171 9.337 9.330) 20.874 1.705 ( 3.129 1.807 39.686) 39.850 2.002 ( -2.791 -1.611 -12.247) 12.664 2.231 ( 10.489 6.056 -12.544) 17.437 4.133 ( -13.611 -7.858 -7.095) 17.244 5.692 ( -0.632 -0.365 -14.315) 14.334 6.054 ( 18.544 10.706 -13.011) 25.056 7.403 ( 1.635 0.944 10.932) 11.094 7.566 ( 18.389 10.617 -7.809) 22.625 18.969 ( -9.750 -5.629 -0.082) 11.258 20.654 ( -25.177 -14.536 18.951) 34.704======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 14.035 8.103 11.409) 19.820 0.927 ( 10.656 6.152 11.199) 16.638 1.894 ( -2.484 -1.434 -13.224) 13.532 1.913 ( 3.065 1.769 30.077) 30.285 2.515 ( 18.042 10.416 -10.549) 23.351 3.795 ( -13.716 -7.919 -5.460) 16.753 5.638 ( -0.034 -0.020 -11.255) 11.255 6.372 ( 10.047 5.801 4.360) 12.394 7.480 ( 2.035 1.175 8.247) 8.575 7.994 ( 23.145 13.363 -28.590) 39.137 18.729 ( -10.073 -5.816 3.599) 12.175 20.174 ( -22.761 -13.141 24.810) 36.143======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 5.460 3.152 8.719) 10.760 1.246 ( 13.926 8.040 13.626) 21.077 1.790 ( -2.117 -1.222 -14.225) 14.434 2.062 ( 1.986 1.147 20.844) 20.970 2.955 ( 21.133 12.201 -7.778) 25.612 3.458 ( -13.059 -7.539 -5.851) 16.174 5.606 ( 0.044 0.025 -6.663) 6.663 6.558 ( 2.938 1.696 17.129) 17.461 7.557 ( 2.577 1.488 4.498) 5.393 8.400 ( 21.657 12.504 -32.162) 40.740 18.566 ( -5.270 -3.043 4.181) 7.383 19.771 ( -19.490 -11.253 18.946) 29.418======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 3.079 1.778 2.569) 4.387 1.593 ( 8.779 5.068 15.303) 18.356 1.705 ( 1.905 1.100 -15.190) 15.348 2.172 ( 1.994 1.151 15.202) 15.376 3.022 ( -12.834 -7.410 -12.654) 19.487 3.514 ( 19.176 11.071 -1.209) 22.176 5.591 ( -0.019 -0.011 -1.062) 1.062 6.644 ( -1.691 -0.976 22.825) 22.908 7.629 ( 2.725 1.573 0.116) 3.148 8.756 ( 18.606 10.742 -27.097) 34.581 18.500 ( -2.068 -1.194 2.878) 3.740 19.412 ( -16.282 -9.400 10.955) 21.759======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.317 ( 2.170 1.253 -4.575) 5.216 1.572 ( -2.670 -1.541 -10.181) 10.637 1.949 ( 11.056 6.383 10.515) 16.540 2.271 ( 2.788 1.609 9.137) 9.687 2.649 ( -14.449 -8.342 -11.068) 20.022 3.934 ( 16.437 9.490 -2.036) 19.089 5.601 ( 0.331 0.191 4.778) 4.794 6.657 ( -4.510 -2.604 24.461) 25.009 7.677 ( 1.925 1.111 -4.357) 4.891 9.055 ( 14.705 8.490 -20.112) 26.321 18.468 ( -1.771 -1.022 1.404) 2.480 19.112 ( -11.717 -6.765 3.534) 13.983======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 1.169 0.675 -12.002) 12.078 1.469 ( -2.883 -1.665 -10.748) 11.252 2.210 ( 7.971 4.602 11.047) 14.379 2.263 ( -9.842 -5.682 -14.139) 18.140 2.410 ( 1.647 0.951 9.705) 9.890 4.231 ( 9.656 5.575 -2.629) 11.455 5.647 ( 1.423 0.821 9.991) 10.125 6.625 ( -5.863 -3.385 24.531) 25.448 7.677 ( 0.034 0.020 -8.370) 8.370 9.280 ( 10.236 5.910 -14.475) 18.688 18.422 ( -2.353 -1.359 0.112) 2.720 18.902 ( -6.909 -3.989 -1.847) 8.189======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( -1.539 -0.888 -19.671) 19.751 1.360 ( -3.361 -1.941 -9.656) 10.407 1.996 ( -8.367 -4.830 -5.437) 11.086 2.392 ( 4.419 2.551 9.893) 11.132 2.544 ( 6.718 3.878 3.154) 8.374 4.349 ( 1.347 0.778 -3.333) 3.678 5.742 ( 2.985 1.723 13.694) 14.121 6.578 ( -5.819 -3.359 24.491) 25.396 7.613 ( -2.479 -1.432 -11.396) 11.750 9.416 ( 5.688 3.284 -11.792) 13.498 18.380 ( -0.709 -0.409 -0.566) 0.995 18.765 ( -4.356 -2.515 -4.399) 6.682======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( -4.874 -2.814 -22.120) 22.824 1.240 ( -4.289 -2.476 -7.707) 9.161 1.850 ( -4.058 -2.343 1.970) 5.082 2.488 ( 1.079 0.623 8.069) 8.165 2.736 ( 9.462 5.463 -0.778) 10.953 4.264 ( -7.550 -4.359 -3.851) 9.530 5.880 ( 4.163 2.403 15.010) 15.761 6.544 ( -4.879 -2.817 24.545) 25.183 7.483 ( -4.682 -2.703 -12.831) 13.923 9.456 ( 1.812 1.046 -12.810) 12.980 18.404 ( 2.997 1.730 1.059) 3.619 18.656 ( -3.763 -2.173 -4.909) 6.556======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.422 ( 0.000 8.812 9.295) 12.808 0.722 ( 0.000 22.197 12.175) 25.317 1.854 ( 0.000 3.013 35.279) 35.408 2.032 ( -0.000 4.924 -11.456) 12.469 2.111 ( -0.000 4.560 -11.419) 12.296 4.110 ( -0.000 -13.239 -9.828) 16.488 5.727 ( -0.000 4.223 -13.970) 14.595 5.945 ( -0.000 23.197 -14.802) 27.518 7.366 ( 0.000 -2.513 10.885) 11.171 7.597 ( -0.000 15.968 -2.665) 16.189 18.969 ( -0.000 -10.430 -0.183) 10.432 20.711 ( 0.000 -26.114 14.913) 30.072======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.702 ( 14.245 7.786 9.514) 18.817 1.005 ( 2.948 16.224 15.738) 22.795 1.903 ( -3.355 0.765 -8.868) 9.512 2.039 ( -1.903 5.392 18.593) 19.453 2.316 ( 13.616 11.909 -4.599) 18.665 3.867 ( -8.190 -11.768 -8.391) 16.612 5.672 ( -4.058 6.376 -11.855) 14.059 6.280 ( 11.950 18.253 -4.403) 22.257 7.429 ( 5.013 -3.030 8.486) 10.311 7.792 ( 8.161 15.932 -16.135) 24.099 18.804 ( -5.947 -10.016 2.386) 11.890 20.388 ( -12.730 -23.817 19.778) 33.473======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 12.230 4.270 9.348) 15.975 1.255 ( 4.682 10.938 17.053) 20.794 1.804 ( -4.361 2.452 -13.431) 14.332 2.133 ( 0.522 2.989 14.053) 14.377 2.724 ( 17.731 15.261 -2.169) 23.495 3.555 ( -10.955 -10.308 -8.166) 17.116 5.642 ( -2.863 6.634 -7.979) 10.764 6.595 ( 5.401 10.458 12.358) 17.066 7.517 ( 4.494 -1.572 5.498) 7.273 8.076 ( 16.538 13.957 -28.292) 35.619 18.632 ( -5.309 -5.916 3.849) 8.831 19.992 ( -15.336 -19.900 17.664) 30.712======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( 3.941 -0.166 5.678) 6.914 1.548 ( 9.219 5.987 17.016) 20.258 1.719 ( -3.561 7.326 -13.776) 16.004 2.220 ( 0.915 3.011 10.388) 10.854 3.053 ( -0.203 -1.879 -10.341) 10.513 3.354 ( 6.907 5.890 -1.404) 9.185 5.643 ( -2.367 6.530 -2.926) 7.537 6.767 ( -1.265 4.523 22.487) 22.972 7.590 ( 3.264 0.167 1.529) 3.609 8.418 ( 20.082 11.341 -29.439) 37.397 18.536 ( -2.742 -2.542 3.247) 4.952 19.598 ( -14.934 -16.661 11.511) 25.161======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( 1.714 -1.891 -1.143) 2.796 1.589 ( -2.907 0.123 -7.442) 7.991 1.911 ( 7.991 11.012 10.979) 17.483 2.304 ( 0.869 5.005 5.357) 7.383 2.761 ( -12.851 -9.253 -10.587) 19.048 3.726 ( 17.382 10.231 -1.091) 20.199 5.668 ( -2.038 6.349 2.584) 7.151 6.823 ( -5.280 1.024 25.894) 26.446 7.641 ( 2.008 1.155 -3.076) 3.851 8.760 ( 19.009 8.166 -23.883) 31.598 18.492 ( -1.692 -1.402 1.986) 2.962 19.241 ( -12.294 -12.822 4.646) 18.361======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( 1.011 -3.250 -9.020) 9.641 1.512 ( -3.955 2.640 -8.613) 9.839 2.152 ( 5.892 2.705 7.446) 9.873 2.366 ( -5.658 7.267 -8.961) 12.850 2.466 ( -4.818 -3.277 6.041) 8.393 4.071 ( 13.484 5.316 -2.256) 14.669 5.720 ( -1.259 6.158 7.667) 9.914 6.809 ( -7.323 -0.747 26.556) 27.558 7.653 ( 0.097 1.167 -7.399) 7.491 9.049 ( 15.474 4.715 -17.697) 23.976 18.449 ( -2.315 -1.712 0.935) 3.027 18.965 ( -7.923 -8.336 -1.111) 11.554======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -0.169 -4.219 -15.569) 16.132 1.439 ( -5.114 4.621 -9.254) 11.539 2.068 ( -7.827 -3.831 -9.411) 12.826 2.383 ( 3.964 2.095 9.601) 10.597 2.554 ( 1.060 9.898 4.069) 10.754 4.267 ( 6.921 0.103 -3.231) 7.639 5.806 ( 0.168 5.737 11.437) 12.797 6.763 ( -7.818 -1.336 26.726) 27.878 7.608 ( -2.396 0.250 -10.748) 11.015 9.251 ( 10.739 1.575 -13.841) 17.589 18.393 ( -1.940 -1.268 0.170) 2.323 18.788 ( -4.282 -4.828 -4.228) 7.715======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( -2.119 -3.441 -17.901) 18.351 1.349 ( -7.143 5.491 -9.630) 13.188 1.905 ( -4.831 -1.831 -1.993) 5.537 2.507 ( 3.820 1.883 6.544) 7.808 2.684 ( 2.235 9.058 1.002) 9.383 4.281 ( -1.282 -4.689 -3.812) 6.177 5.922 ( 1.808 4.648 13.064) 13.983 6.718 ( -7.106 -1.381 26.924) 27.880 7.498 ( -4.698 -0.980 -12.443) 13.337 9.347 ( 5.665 -0.556 -13.541) 14.688 18.383 ( 1.302 0.979 0.773) 1.803 18.671 ( -3.091 -3.247 -4.729) 6.516======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( 0.000 10.292 9.883) 14.269 1.193 ( 0.000 10.665 19.927) 22.602 1.924 ( -0.000 1.597 -7.383) 7.554 2.130 ( -0.000 6.108 -12.076) 13.533 2.361 ( 0.000 17.585 19.101) 25.963 3.777 ( -0.000 -13.078 -9.654) 16.255 5.739 ( -0.000 6.484 -12.294) 13.900 6.388 ( -0.000 27.501 -3.005) 27.665 7.382 ( 0.000 -3.434 9.613) 10.208 7.819 ( -0.000 12.454 -15.866) 20.170 18.757 ( 0.000 -10.447 2.839) 10.826 20.299 ( 0.000 -27.296 17.742) 32.555======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 10.348 7.143 9.800) 15.942 1.347 ( 1.791 3.053 19.999) 20.310 1.878 ( -4.210 4.439 -9.297) 11.129 2.173 ( 1.932 5.359 -4.417) 7.208 2.682 ( 7.818 18.939 9.164) 22.445 3.559 ( -5.849 -11.595 -9.648) 16.178 5.739 ( -2.503 8.040 -10.238) 13.256 6.711 ( 3.692 22.681 8.951) 24.661 7.427 ( 4.889 -2.939 7.520) 9.439 7.914 ( 6.394 10.826 -23.348) 26.518 18.649 ( -2.712 -7.208 3.469) 8.446 20.021 ( -7.511 -25.798 15.553) 31.046======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 5.951 0.744 7.554) 9.645 1.494 ( 6.626 -1.177 14.708) 16.174 1.840 ( -3.403 9.081 -5.162) 10.986 2.257 ( 2.336 5.713 -1.000) 6.253 2.983 ( 4.690 4.949 -1.992) 7.103 3.351 ( -2.177 1.059 -5.098) 5.643 5.751 ( -2.288 8.701 -6.211) 10.932 6.962 ( -2.303 12.801 21.880) 25.454 7.525 ( 5.149 -0.843 4.587) 6.947 8.108 ( 15.113 10.918 -29.884) 35.222 18.562 ( -2.367 -3.592 3.063) 5.281 19.666 ( -10.605 -22.657 11.168) 27.396======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 1.016 -3.645 2.038) 4.298 1.580 ( 1.657 -2.327 0.340) 2.877 1.952 ( 3.879 8.380 9.333) 13.129 2.367 ( 2.142 10.407 -2.015) 10.815 2.822 ( -9.381 -9.910 -9.282) 16.504 3.569 ( 12.168 12.083 -0.172) 17.149 5.786 ( -1.962 8.329 -1.399) 8.670 7.062 ( -6.813 6.450 26.346) 27.967 7.603 ( 2.852 0.803 0.034) 2.963 8.412 ( 19.354 8.962 -26.509) 34.024 18.513 ( -1.632 -1.742 2.070) 3.159 19.304 ( -10.570 -18.249 5.626) 21.827======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( -0.163 -4.916 -5.039) 7.042 1.558 ( -1.575 0.820 -4.043) 4.415 2.110 ( 4.142 0.423 7.297) 8.401 2.522 ( -6.708 5.757 -10.907) 14.040 2.539 ( -1.843 4.130 4.758) 6.565 3.881 ( 12.914 5.872 -1.516) 14.267 5.837 ( -1.439 7.205 3.117) 7.981 7.069 ( -9.289 3.976 26.995) 28.824 7.638 ( 0.739 1.549 -4.993) 5.280 8.728 ( 18.329 4.944 -19.896) 27.500 18.474 ( -1.983 -1.616 1.374) 2.903 18.996 ( -7.936 -12.734 0.242) 15.007======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -0.665 -4.003 -11.083) 11.802 1.523 ( -2.825 3.130 -5.435) 6.879 2.110 ( -3.873 -2.053 -7.834) 8.977 2.372 ( -0.373 -3.505 6.953) 7.795 2.722 ( -1.350 18.596 2.183) 18.772 4.102 ( 9.990 -0.456 -2.615) 10.337 5.902 ( -0.384 5.445 6.497) 8.486 7.031 ( -10.507 3.111 27.132) 29.261 7.617 ( -1.855 1.061 -8.739) 8.996 8.984 ( 14.914 1.225 -15.200) 21.331 18.421 ( -2.500 -1.631 1.164) 3.204 18.785 ( -4.210 -7.379 -3.538) 9.203======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( -1.297 -0.749 -13.466) 13.549 1.477 ( -4.603 4.756 -6.938) 9.588 1.969 ( -5.654 -0.755 -5.556) 7.963 2.432 ( 5.832 -1.663 5.259) 8.027 2.856 ( -4.608 16.536 2.297) 17.319 4.189 ( 4.412 -5.256 -3.231) 7.585 5.979 ( 1.069 3.168 8.208) 8.863 6.973 ( -10.530 1.721 27.077) 29.103 7.533 ( -4.345 0.280 -10.378) 11.254 9.151 ( 10.175 -0.787 -13.639) 17.034 18.385 ( -0.495 0.017 1.387) 1.473 18.663 ( -2.204 -3.996 -4.579) 6.465======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( 0.000 6.917 10.019) 12.175 1.392 ( 0.000 -4.078 16.959) 17.443 1.934 ( -0.000 2.410 -1.112) 2.654 2.181 ( -0.000 8.002 -12.201) 14.591 2.853 ( 0.000 17.873 8.715) 19.884 3.465 ( -0.000 -8.660 -9.566) 12.903 5.796 ( -0.000 7.797 -11.475) 13.873 6.986 ( 0.000 28.115 12.269) 30.675 7.377 ( 0.000 -3.759 9.234) 9.970 7.867 ( -0.000 7.673 -24.026) 25.222 18.616 ( 0.000 -5.938 3.117) 6.707 19.868 ( 0.000 -27.414 13.393) 30.510======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 5.776 2.611 8.983) 10.994 1.412 ( 3.581 -6.594 11.461) 13.699 1.940 ( -1.448 2.498 3.541) 4.569 2.251 ( 3.199 8.333 -10.186) 13.543 2.984 ( -0.837 -0.370 -0.855) 1.252 3.401 ( -0.666 8.820 -4.070) 9.736 5.830 ( -0.475 8.137 -9.838) 12.776 7.254 ( -4.427 15.238 21.047) 26.358 7.450 ( 5.723 2.013 9.591) 11.349 7.907 ( 7.336 10.027 -30.075) 32.541 18.566 ( -1.125 -3.553 2.420) 4.444 19.597 ( -5.003 -25.683 10.442) 28.172======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 0.573 -4.692 4.953) 6.846 1.488 ( 6.284 -3.944 5.194) 9.057 1.986 ( 1.845 1.143 9.628) 9.870 2.392 ( 5.946 12.050 -8.982) 16.163 2.826 ( -6.316 -10.147 -6.631) 13.669 3.571 ( 3.721 15.526 -0.157) 15.966 5.873 ( -0.316 7.630 -6.066) 9.752 7.336 ( -4.687 5.018 20.545) 21.662 7.577 ( 1.713 2.111 6.492) 7.038 8.123 ( 14.085 13.824 -24.976) 31.832 18.527 ( -1.210 -1.890 1.471) 2.683 19.281 ( -7.217 -21.548 6.610) 23.666======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( -0.903 -6.749 -0.316) 6.817 1.545 ( 2.164 -1.301 0.506) 2.575 2.067 ( 3.246 -2.106 8.702) 9.524 2.581 ( -7.734 -8.099 -5.924) 12.668 2.636 ( 7.371 17.304 -4.284) 19.290 3.780 ( 5.745 9.002 -0.518) 10.691 5.922 ( -0.329 5.982 -1.779) 6.249 7.361 ( -6.578 4.292 20.932) 22.357 7.621 ( 1.109 1.154 -2.331) 2.827 8.423 ( 14.825 9.441 -16.169) 23.882 18.493 ( -1.421 -1.471 0.837) 2.210 18.986 ( -6.791 -15.768 2.449) 17.342======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -0.774 -4.571 -4.921) 6.761 1.556 ( -0.174 0.906 -1.653) 1.893 2.103 ( 0.624 -1.711 -0.237) 1.837 2.384 ( -4.671 -5.795 0.498) 7.460 2.921 ( 3.623 20.320 -0.299) 20.643 3.934 ( 6.847 0.567 -1.355) 7.003 5.966 ( -0.062 3.588 1.693) 3.968 7.348 ( -9.155 4.432 21.709) 23.973 7.619 ( -0.439 0.457 -7.256) 7.283 8.691 ( 14.117 4.345 -11.999) 19.030 18.450 ( -2.091 -1.613 1.049) 2.841 18.764 ( -4.259 -9.439 -1.350) 10.443======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -0.277 0.652 -7.416) 7.450 1.548 ( -1.699 2.489 -3.230) 4.418 2.040 ( -4.826 0.597 -6.178) 7.862 2.337 ( 3.375 -4.412 5.153) 7.577 3.133 ( -3.541 20.328 1.394) 20.681 4.017 ( 6.747 -6.135 -2.117) 9.362 6.005 ( 0.762 1.146 3.742) 3.988 7.279 ( -11.384 0.370 20.901) 23.804 7.570 ( -2.523 1.508 -7.403) 7.965 8.907 ( 11.964 2.010 -10.978) 16.361 18.406 ( -1.574 -1.019 1.677) 2.516 18.638 ( -1.682 -4.207 -3.440) 5.689======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 0.000 2.752 9.358) 9.754 1.331 ( 0.000 -9.993 8.440) 13.080 1.972 ( 0.000 -1.730 7.951) 8.137 2.266 ( -0.000 9.083 -11.620) 14.749 2.938 ( -0.000 -8.953 -4.596) 10.064 3.536 ( -0.000 17.853 -1.186) 17.892 5.869 ( -0.000 7.732 -11.735) 14.053 7.375 ( 0.000 -3.322 9.915) 10.456 7.573 ( 0.000 7.476 18.823) 20.253 7.872 ( -0.000 21.794 -24.841) 33.047 18.551 ( 0.000 -2.704 1.456) 3.071 19.418 ( 0.000 -25.232 9.247) 26.873======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( -1.189 -4.936 7.100) 8.728 1.336 ( 7.888 -5.481 7.072) 11.928 1.987 ( 0.974 -3.038 10.419) 10.897 2.360 ( 5.122 9.976 -10.886) 15.629 2.789 ( -3.455 -9.821 -5.743) 11.890 3.716 ( -0.205 17.592 -0.105) 17.594 5.908 ( 0.821 7.015 -10.549) 12.695 7.399 ( 1.766 -2.391 10.581) 10.990 7.594 ( 0.935 -3.069 -4.652) 5.651 8.129 ( 2.332 26.491 -1.302) 26.626 18.526 ( -0.530 -2.004 0.402) 2.111 19.180 ( -3.381 -21.714 7.383) 23.183======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( -1.628 -8.213 4.499) 9.505 1.461 ( 6.481 -2.249 4.592) 8.255 2.022 ( 2.420 -3.906 10.373) 11.345 2.565 ( 5.941 5.413 -10.886) 13.531 2.616 ( 0.157 -0.580 -2.195) 2.276 3.859 ( -1.167 12.733 0.390) 12.792 5.956 ( 1.021 5.331 -6.968) 8.833 7.457 ( 2.353 -1.299 9.758) 10.121 7.568 ( 3.141 -3.056 -10.594) 11.465 8.399 ( 1.421 19.424 3.817) 19.847 18.496 ( -0.698 -1.910 -0.441) 2.081 18.939 ( -4.807 -16.091 5.019) 17.527======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -0.788 -5.205 2.350) 5.765 1.536 ( 2.725 -0.531 1.845) 3.334 2.061 ( 2.425 -3.225 6.385) 7.553 2.416 ( -5.723 -4.565 -4.558) 8.624 2.933 ( 14.231 13.934 -2.401) 20.061 3.924 ( -2.326 5.602 0.528) 6.088 5.992 ( 0.485 2.897 -2.914) 4.138 7.517 ( -0.061 0.370 10.907) 10.913 7.550 ( 3.555 -3.764 -13.560) 14.514 8.600 ( 2.357 12.500 3.488) 13.190 18.460 ( -0.902 -2.047 -0.683) 2.339 18.742 ( -4.275 -9.710 2.456) 10.890======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 0.497 0.862 -0.000) 0.995 1.568 ( 0.524 0.908 -0.000) 1.048 2.081 ( -0.066 -0.115 -0.000) 0.133 2.288 ( -2.328 -4.032 -0.000) 4.656 3.299 ( 9.635 16.688 -0.000) 19.270 3.895 ( -1.991 -3.449 -0.000) 3.983 6.010 ( 0.348 0.602 -0.000) 0.695 7.437 ( -4.976 -8.619 -0.000) 9.953 7.589 ( 1.803 3.124 0.000) 3.607 8.774 ( 5.023 8.700 -0.000) 10.046 18.420 ( -1.135 -1.966 -0.000) 2.270 18.623 ( -2.185 -3.785 -0.000) 4.371======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 0.000 -11.573 7.599) 13.845 1.204 ( 0.000 -0.074 8.702) 8.702 1.979 ( 0.000 -4.461 11.348) 12.193 2.363 ( -0.000 8.571 -10.524) 13.573 2.707 ( -0.000 -8.169 -5.657) 9.936 3.894 ( 0.000 16.324 0.541) 16.333 5.922 ( -0.000 6.446 -13.026) 14.533 7.394 ( 0.000 -2.617 11.356) 11.653 7.484 ( -0.000 -5.625 -17.275) 18.168 8.416 ( 0.000 25.443 11.607) 27.965 18.508 ( -0.000 -2.449 -0.650) 2.534 19.031 ( 0.000 -18.652 7.467) 20.091======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( -2.728 -8.960 9.264) 13.173 1.325 ( 8.276 -2.156 7.722) 11.523 1.986 ( 1.293 -4.792 11.421) 12.453 2.468 ( 6.597 7.638 -9.846) 14.100 2.598 ( -1.860 -4.331 -4.545) 6.548 4.028 ( -2.103 12.697 1.431) 12.949 5.948 ( 1.595 5.238 -12.027) 13.215 7.368 ( 2.523 -5.929 -16.770) 17.965 7.448 ( 3.315 -2.436 6.760) 7.914 8.670 ( -2.815 19.963 13.893) 24.484 18.474 ( -0.136 -3.058 -1.340) 3.342 18.874 ( -2.393 -13.442 6.648) 15.186======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -1.108 -5.352 9.646) 11.087 1.462 ( 6.239 -1.514 5.476) 8.438 2.009 ( 2.239 -4.574 9.366) 10.661 2.452 ( -4.304 -1.710 -6.691) 8.138 2.756 ( 15.297 8.091 -3.789) 17.715 4.076 ( -5.130 7.814 2.074) 9.575 5.985 ( 1.679 3.306 -8.103) 8.911 7.315 ( 7.012 -6.596 -23.182) 25.102 7.513 ( 2.826 -2.119 9.627) 10.254 8.820 ( -5.139 14.476 13.707) 20.588 18.437 ( 0.000 -2.912 -1.716) 3.380 18.736 ( -3.464 -8.041 5.227) 10.197======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( 0.000 -8.440 14.307) 16.611 1.248 ( 0.000 -1.687 8.363) 8.531 1.968 ( 0.000 -4.995 11.075) 12.150 2.446 ( -0.000 6.797 -9.196) 11.436 2.562 ( -0.000 -2.012 -4.634) 5.052 4.170 ( 0.000 9.798 2.520) 10.117 5.931 ( -0.000 4.850 -14.759) 15.536 7.199 ( -0.000 -6.836 -24.575) 25.508 7.434 ( 0.000 -2.490 12.835) 13.074 8.934 ( 0.000 15.773 15.295) 21.970 18.435 ( -0.000 -3.646 -1.270) 3.861 18.804 ( 0.000 -9.528 6.607) 11.595======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( -1.974 -5.023 15.995) 16.881 1.341 ( 7.635 -2.351 8.255) 11.488 1.965 ( 1.133 -5.030 8.862) 10.253 2.479 ( -1.376 2.455 -7.422) 7.938 2.597 ( 7.815 4.853 -3.855) 9.974 4.231 ( -3.239 5.541 3.227) 7.184 5.944 ( 2.280 3.924 -13.280) 14.034 7.061 ( 3.168 -7.204 -26.445) 27.591 7.479 ( 2.390 -2.857 12.243) 12.797 9.089 ( -3.852 11.158 15.022) 19.105 18.400 ( 0.186 -2.540 -1.084) 2.768 18.732 ( -1.796 -6.275 5.689) 8.658======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 0.000 -4.431 20.747) 21.215 1.261 ( 0.000 -3.064 8.064) 8.626 1.933 ( 0.000 -4.982 5.850) 7.684 2.493 ( -0.000 4.183 -8.169) 9.177 2.571 ( -0.000 5.282 -1.709) 5.552 4.308 ( 0.000 1.262 3.867) 4.067 5.906 ( -0.000 4.172 -15.723) 16.267 6.866 ( -0.000 -6.999 -26.969) 27.862 7.474 ( 0.000 -3.517 13.465) 13.917 9.269 ( 0.000 7.164 14.530) 16.200 18.378 ( -0.000 -0.726 -0.456) 0.858 18.711 ( 0.000 -5.112 5.243) 7.323======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( 0.000 -0.000 9.678) 9.678 0.396 ( 0.000 -0.000 9.678) 9.678 1.973 ( 0.000 -0.000 40.345) 40.345 1.982 ( -0.000 0.000 -12.535) 12.535 1.982 ( -0.000 0.000 -12.535) 12.535 4.216 ( -0.000 0.000 -17.959) 17.959 5.615 ( -0.000 0.000 -13.106) 13.106 5.615 ( -0.000 0.000 -13.106) 13.106 7.447 ( 0.000 -0.000 9.995) 9.995 7.447 ( 0.000 -0.000 9.995) 9.995 19.076 ( -0.000 0.000 -2.072) 2.072 21.022 ( 0.000 -0.000 1.819) 1.819======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 12.553 7.247 9.362) 17.255 0.685 ( 17.110 9.879 11.253) 22.737 1.864 ( -2.928 -1.690 -12.329) 12.784 2.041 ( 4.271 2.466 -3.147) 5.850 2.172 ( 6.445 3.721 25.898) 26.946 4.012 ( -10.103 -5.833 -14.191) 18.370 5.552 ( 0.053 0.031 -10.884) 10.884 5.903 ( 22.718 13.116 -13.415) 29.463 7.508 ( 1.002 0.578 8.033) 8.115 7.543 ( 6.955 4.015 1.704) 8.210 18.967 ( -8.057 -4.652 -0.271) 9.307 20.803 ( -17.490 -10.098 9.354) 22.257======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 14.963 8.639 9.994) 19.960 1.063 ( 10.286 5.939 13.398) 17.905 1.756 ( -2.707 -1.563 -11.131) 11.561 2.136 ( 3.663 2.115 3.479) 5.477 2.486 ( 14.950 8.631 11.894) 20.963 3.700 ( -12.527 -7.232 -11.484) 18.469 5.535 ( 1.291 0.746 -7.325) 7.475 6.391 ( 19.638 11.338 -0.766) 22.689 7.554 ( 0.924 0.533 5.058) 5.169 7.759 ( 13.801 7.968 -14.410) 21.484 18.762 ( -8.859 -5.115 2.542) 10.540 20.386 ( -21.446 -12.382 14.080) 28.487======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 2.803 1.618 10.292) 10.789 1.376 ( 14.496 8.369 7.217) 18.228 1.661 ( -2.313 -1.336 -6.648) 7.165 2.225 ( 2.171 1.253 6.867) 7.311 2.913 ( 17.097 9.871 2.014) 19.844 3.373 ( -10.479 -6.050 -9.333) 15.281 5.554 ( 1.911 1.103 -2.582) 3.397 6.747 ( 8.290 4.786 16.743) 19.286 7.589 ( 1.094 0.632 1.225) 1.760 8.075 ( 19.885 11.480 -26.396) 34.985 18.607 ( -5.366 -3.098 3.262) 7.003 19.937 ( -21.242 -12.264 11.118) 26.930======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( -0.508 -0.293 3.986) 4.029 1.529 ( -0.593 -0.342 -14.987) 15.003 1.777 ( 11.261 6.502 16.321) 20.868 2.282 ( 1.032 0.596 3.628) 3.818 2.898 ( -12.738 -7.354 -8.366) 16.921 3.508 ( 18.527 10.697 -0.042) 21.393 5.602 ( 2.130 1.230 2.918) 3.816 6.909 ( -0.338 -0.195 24.982) 24.985 7.612 ( 1.078 0.622 -3.130) 3.368 8.459 ( 21.131 12.200 -26.511) 36.031 18.530 ( -2.633 -1.520 2.396) 3.871 19.501 ( -18.771 -10.838 5.206) 22.291======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( -1.780 -1.028 -3.858) 4.371 1.442 ( -2.007 -1.159 -12.254) 12.471 2.088 ( 10.165 5.869 13.492) 17.883 2.278 ( -1.835 -1.060 -8.792) 9.043 2.588 ( -10.297 -5.945 1.392) 11.971 3.916 ( 15.806 9.126 -1.366) 18.303 5.674 ( 2.389 1.379 8.468) 8.906 6.942 ( -4.603 -2.658 26.605) 27.131 7.611 ( 0.379 0.219 -7.482) 7.495 8.826 ( 17.835 10.297 -20.927) 29.361 18.484 ( -2.322 -1.341 1.366) 3.009 19.128 ( -13.891 -8.020 -0.685) 16.055======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( -2.875 -1.660 -13.347) 13.753 1.351 ( -2.275 -1.314 -10.238) 10.570 2.107 ( -7.107 -4.103 -13.726) 15.992 2.334 ( 7.122 4.112 10.911) 13.663 2.500 ( -0.168 -0.097 6.761) 6.764 4.200 ( 9.177 5.298 -2.831) 10.969 5.776 ( 2.971 1.715 13.113) 13.554 6.911 ( -6.183 -3.570 26.666) 27.605 7.568 ( -1.150 -0.664 -11.179) 11.258 9.110 ( 12.362 7.137 -16.047) 21.477 18.425 ( -2.893 -1.670 0.580) 3.391 18.867 ( -7.972 -4.602 -4.513) 10.252======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 0.000 8.711 10.390) 13.558 0.856 ( 0.000 26.007 11.776) 28.549 1.849 ( -0.000 -0.269 -13.775) 13.778 1.973 ( -0.000 4.782 -13.194) 14.034 2.288 ( 0.000 3.253 35.391) 35.541 3.964 ( -0.000 -9.599 -15.972) 18.634 5.587 ( -0.000 4.234 -11.263) 12.033 5.794 ( -0.000 24.983 -11.724) 27.597 7.475 ( 0.000 -2.451 8.630) 8.972 7.600 ( 0.000 6.862 1.952) 7.134 18.967 ( -0.000 -8.657 -0.271) 8.661 20.830 ( 0.000 -18.879 7.496) 20.313======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.814 ( 14.249 7.885 10.546) 19.402 1.178 ( 2.335 20.355 15.224) 25.525 1.761 ( -3.353 0.529 -12.812) 13.254 2.049 ( 6.871 5.399 -12.708) 15.423 2.486 ( 4.284 6.757 27.643) 28.778 3.740 ( -7.132 -10.036 -14.083) 18.706 5.560 ( -2.440 6.148 -8.360) 10.660 6.213 ( 17.121 25.195 -6.883) 31.230 7.510 ( 3.292 -2.738 6.144) 7.489 7.681 ( 2.442 7.109 -5.463) 9.292 18.826 ( -5.146 -8.644 1.620) 10.189 20.551 ( -11.277 -20.950 10.551) 26.026======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 11.425 3.392 9.694) 15.362 1.434 ( 2.165 15.309 14.070) 20.904 1.665 ( -3.023 -0.146 -9.705) 10.166 2.182 ( 6.015 3.533 -5.049) 8.611 2.792 ( 11.278 11.084 13.841) 21.015 3.440 ( -9.806 -9.066 -12.347) 18.187 5.575 ( -0.641 6.513 -4.079) 7.711 6.713 ( 12.849 17.752 8.723) 23.587 7.562 ( 2.771 -1.412 2.629) 4.072 7.817 ( 10.752 8.289 -18.434) 22.894 18.668 ( -5.048 -5.636 2.719) 8.040 20.141 ( -15.985 -20.051 9.647) 27.397======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( 1.575 -2.402 5.176) 5.920 1.565 ( -4.714 5.264 -12.021) 13.944 1.744 ( 9.095 10.324 17.007) 21.875 2.269 ( 2.552 1.467 -2.091) 3.611 2.976 ( -6.707 -6.663 -3.193) 9.979 3.336 ( 11.617 9.519 -1.381) 15.082 5.632 ( 0.274 6.453 0.909) 6.522 7.022 ( 1.368 7.397 23.615) 24.784 7.590 ( 1.026 0.177 -1.569) 1.883 8.106 ( 20.569 10.941 -26.912) 35.596 18.567 ( -3.015 -2.811 2.325) 4.733 19.691 ( -16.836 -17.689 5.303) 24.990======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( -1.532 -4.574 -1.643) 5.096 1.488 ( -4.632 3.955 -9.214) 11.045 2.058 ( 7.671 8.877 14.111) 18.351 2.285 ( -0.898 3.054 -8.807) 9.365 2.697 ( -10.184 -8.573 -0.324) 13.316 3.719 ( 16.619 9.682 -0.430) 19.239 5.716 ( 0.766 6.025 6.049) 8.571 7.117 ( -5.147 1.599 26.881) 27.416 7.590 ( -0.111 0.980 -6.067) 6.147 8.498 ( 21.778 9.976 -23.325) 33.434 18.512 ( -2.045 -1.665 1.534) 3.051 19.267 ( -14.470 -13.815 0.041) 20.006======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -2.683 -5.458 -9.106) 10.950 1.415 ( -5.095 4.745 -8.552) 11.028 2.124 ( -4.414 -2.848 -11.710) 12.834 2.360 ( 2.466 10.195 8.328) 13.393 2.540 ( -2.377 -2.026 6.120) 6.871 4.047 ( 12.819 4.906 -2.011) 13.873 5.822 ( 1.385 5.222 10.516) 11.822 7.106 ( -7.500 -0.449 26.486) 27.531 7.557 ( -1.683 1.130 -9.824) 10.031 8.851 ( 17.720 6.283 -17.781) 25.878 18.460 ( -2.695 -1.799 1.175) 3.447 18.935 ( -9.449 -8.845 -4.222) 13.614======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 0.000 10.139 11.424) 15.274 1.413 ( 0.000 13.211 19.872) 23.863 1.777 ( -0.000 6.262 -16.328) 17.488 1.984 ( -0.000 6.498 -14.015) 15.448 2.625 ( 0.000 8.364 25.202) 26.554 3.640 ( -0.000 -11.288 -14.639) 18.486 5.615 ( -0.000 6.221 -9.896) 11.689 6.345 ( -0.000 34.743 -3.920) 34.963 7.478 ( 0.000 -3.113 7.715) 8.319 7.700 ( -0.000 4.360 -6.674) 7.972 18.783 ( 0.000 -9.293 1.829) 9.471 20.448 ( 0.000 -25.173 9.675) 26.968======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 9.830 6.521 11.351) 16.370 1.544 ( 1.634 -1.052 13.339) 13.480 1.765 ( -5.818 12.905 -8.168) 16.344 2.081 ( 6.859 6.525 -11.050) 14.551 2.837 ( 3.842 11.254 16.895) 20.660 3.428 ( -5.209 -9.862 -13.773) 17.723 5.640 ( -0.448 7.370 -7.512) 10.533 6.784 ( 8.809 31.977 4.284) 33.443 7.500 ( 2.889 -2.472 5.715) 6.864 7.717 ( 2.233 2.963 -12.294) 12.841 18.680 ( -2.551 -6.894 2.131) 7.654 20.153 ( -7.891 -25.451 8.488) 27.966======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( 3.556 -0.795 7.164) 8.038 1.577 ( 2.039 -3.313 -0.511) 3.923 1.849 ( 0.706 15.788 7.887) 17.663 2.206 ( 5.100 3.496 -7.620) 9.813 2.991 ( -2.772 -5.193 2.501) 6.396 3.292 ( 3.226 8.700 -5.006) 10.543 5.698 ( 0.587 7.794 -3.224) 8.455 7.203 ( 1.690 18.253 21.198) 28.025 7.564 ( 2.628 0.455 2.401) 3.589 7.801 ( 13.079 6.874 -25.242) 29.248 18.589 ( -2.412 -3.856 1.750) 4.873 19.757 ( -11.970 -23.107 5.393) 26.577======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( -1.956 -5.119 0.555) 5.508 1.553 ( -1.828 0.596 -3.561) 4.046 2.089 ( 4.372 6.722 13.659) 15.839 2.293 ( 3.629 9.967 -10.567) 14.973 2.762 ( -8.582 -10.458 -1.650) 13.629 3.568 ( 11.855 11.725 -0.001) 16.674 5.786 ( 1.114 7.179 1.441) 7.406 7.351 ( -5.870 5.623 25.289) 26.563 7.585 ( -0.175 1.165 -3.526) 3.718 8.135 ( 21.329 11.783 -22.715) 33.313 18.531 ( -1.708 -2.067 1.114) 2.904 19.342 ( -12.547 -18.695 1.264) 22.551======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( -3.607 -5.940 -4.718) 8.400 1.510 ( -3.390 2.901 -4.444) 6.297 2.126 ( -2.324 -1.722 -5.804) 6.485 2.473 ( -0.520 8.338 3.555) 9.079 2.585 ( -0.901 2.325 3.483) 4.284 3.867 ( 12.207 5.533 -1.032) 13.442 5.886 ( 1.449 5.552 5.508) 7.954 7.354 ( -8.268 2.954 23.446) 25.036 7.568 ( -1.228 1.666 -7.590) 7.867 8.522 ( 19.410 7.700 -16.382) 26.541 18.488 ( -1.889 -1.684 1.041) 2.737 18.982 ( -9.927 -12.865 -2.688) 16.470======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 0.000 6.090 11.989) 13.447 1.513 ( 0.000 -6.209 3.430) 7.093 1.953 ( 0.000 8.864 6.534) 11.012 2.032 ( -0.000 8.928 -14.588) 17.103 2.973 ( 0.000 8.898 12.370) 15.238 3.337 ( -0.000 -4.746 -13.394) 14.210 5.680 ( -0.000 7.104 -9.385) 11.771 7.082 ( 0.000 37.594 3.980) 37.804 7.472 ( 0.000 -3.007 7.676) 8.244 7.672 ( -0.000 -0.644 -9.935) 9.955 18.642 ( 0.000 -5.973 1.564) 6.174 19.982 ( 0.000 -27.268 7.396) 28.253======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( 4.109 1.077 10.071) 10.930 1.477 ( 3.279 -5.966 0.766) 6.851 2.011 ( -1.390 8.490 6.226) 10.620 2.132 ( 4.488 5.523 -8.527) 11.106 2.980 ( -3.050 -9.481 -0.386) 9.967 3.357 ( 1.234 15.574 -3.552) 16.021 5.731 ( 1.598 7.106 -7.730) 10.621 7.450 ( -0.283 11.075 10.715) 15.413 7.553 ( 8.181 20.132 -2.862) 21.918 7.627 ( -0.220 -1.991 -5.124) 5.502 18.585 ( -1.100 -3.932 0.875) 4.175 19.685 ( -5.782 -25.694 5.477) 26.900======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( -1.917 -5.537 3.037) 6.600 1.522 ( 3.947 -2.384 2.090) 5.063 2.120 ( 1.513 -0.366 12.425) 12.522 2.271 ( 8.151 14.205 -11.506) 20.015 2.772 ( -6.140 -11.139 -3.063) 13.082 3.569 ( 3.971 15.790 -0.148) 16.283 5.817 ( 2.704 6.367 -4.023) 8.002 7.512 ( 0.431 0.078 10.470) 10.479 7.580 ( 1.405 -2.437 -11.307) 11.652 7.965 ( 8.279 24.699 2.522) 26.172 18.536 ( -1.130 -2.366 0.216) 2.631 19.333 ( -8.735 -21.358 2.802) 23.245======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( -3.646 -6.315 -0.000) 7.292 1.546 ( 0.026 0.045 -0.000) 0.052 2.127 ( -1.065 -1.844 -0.000) 2.130 2.525 ( -1.044 -1.808 -0.000) 2.088 2.625 ( 5.969 10.339 -0.000) 11.938 3.777 ( 5.256 9.103 -0.000) 10.511 5.912 ( 2.621 4.539 -0.000) 5.242 7.538 ( -0.413 -0.715 -0.000) 0.825 7.557 ( 0.262 0.455 0.000) 0.525 8.324 ( 9.154 15.855 -0.000) 18.308 18.498 ( -1.061 -1.838 -0.000) 2.123 18.999 ( -8.784 -15.214 -0.000) 17.568======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 0.000 1.508 11.659) 11.756 1.372 ( -0.000 -7.962 -0.351) 7.969 2.097 ( 0.000 -1.413 13.747) 13.819 2.123 ( -0.000 10.552 -14.166) 17.664 2.889 ( -0.000 -11.844 -4.114) 12.538 3.522 ( 0.000 19.854 -1.183) 19.889 5.748 ( -0.000 6.532 -9.890) 11.852 7.479 ( 0.000 -2.148 8.537) 8.803 7.487 ( -0.000 0.345 -25.850) 25.852 7.904 ( 0.000 28.858 22.242) 36.435 18.559 ( -0.000 -3.215 -0.005) 3.215 19.497 ( 0.000 -24.907 5.087) 25.421======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -2.953 -5.649 4.982) 8.091 1.403 ( 7.554 -2.922 6.106) 10.143 2.126 ( 0.383 -3.590 12.136) 12.661 2.230 ( 6.118 11.698 -10.961) 17.159 2.730 ( -3.112 -10.456 -4.823) 11.928 3.716 ( -0.085 18.300 0.107) 18.301 5.800 ( 2.897 5.632 -8.873) 10.901 7.404 ( 3.490 -4.275 -23.787) 24.418 7.509 ( 1.754 -1.122 8.206) 8.466 8.256 ( -1.289 26.788 19.421) 33.113 18.525 ( -0.474 -2.566 -0.672) 2.695 19.244 ( -4.167 -21.024 4.053) 21.813======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( 0.000 -7.084 4.433) 8.357 1.313 ( 0.000 -1.213 10.937) 11.004 2.131 ( 0.000 -5.334 15.127) 16.040 2.234 ( -0.000 10.203 -12.686) 16.280 2.641 ( -0.000 -8.271 -6.108) 10.282 3.903 ( 0.000 17.235 0.997) 17.264 5.785 ( -0.000 4.876 -11.403) 12.402 7.235 ( -0.000 -5.425 -25.718) 26.284 7.513 ( 0.000 -1.246 9.964) 10.041 8.599 ( 0.000 23.567 19.615) 30.661 18.498 ( -0.000 -2.885 -1.127) 3.097 19.099 ( 0.000 -17.751 4.519) 18.317======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.500 ( 0.000 -0.000 8.907) 8.907 0.500 ( 0.000 -0.000 8.907) 8.907 1.844 ( -0.000 0.000 -12.019) 12.019 1.844 ( -0.000 0.000 -12.019) 12.019 2.396 ( 0.000 -0.000 35.821) 35.821 4.001 ( -0.000 0.000 -20.693) 20.693 5.490 ( -0.000 0.000 -9.264) 9.264 5.490 ( -0.000 0.000 -9.264) 9.264 7.541 ( 0.000 -0.000 6.948) 6.948 7.541 ( 0.000 -0.000 6.948) 6.948 19.055 ( -0.000 0.000 -1.600) 1.600 21.040 ( 0.000 -0.000 1.404) 1.404======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.728 ( 12.700 7.332 6.782) 16.157 0.815 ( 18.889 10.906 11.986) 24.888 1.742 ( -2.408 -1.390 -9.051) 9.468 1.898 ( 6.129 3.538 -14.646) 16.266 2.538 ( 1.551 0.895 32.164) 32.214 3.831 ( -7.539 -4.353 -18.018) 20.011 5.456 ( 0.834 0.482 -6.390) 6.462 5.770 ( 23.345 13.478 -10.160) 28.808 7.576 ( 2.111 1.219 3.614) 4.359 7.579 ( 0.302 0.174 4.594) 4.607 18.964 ( -6.823 -3.939 -0.209) 7.881 20.878 ( -13.633 -7.871 4.517) 16.378======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( 14.600 8.429 3.013) 17.126 1.222 ( 9.759 5.634 15.324) 19.021 1.671 ( -1.487 -0.859 -3.035) 3.487 2.036 ( 10.560 6.097 -15.571) 19.777 2.723 ( 6.140 3.545 24.280) 25.294 3.551 ( -11.023 -6.364 -14.677) 19.427 5.479 ( 2.556 1.476 -2.651) 3.967 6.363 ( 27.792 16.046 -3.679) 32.301 7.591 ( -0.159 -0.092 1.544) 1.555 7.659 ( 5.371 3.101 -4.745) 7.808 18.785 ( -7.948 -4.589 1.622) 9.320 20.497 ( -20.254 -11.693 6.543) 24.285======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 7.774 4.489 -10.558) 13.858 1.369 ( -0.061 -0.035 10.732) 10.733 1.704 ( 4.821 2.783 12.235) 13.442 2.206 ( 6.373 3.679 -8.770) 11.448 3.007 ( 8.611 4.972 13.460) 16.734 3.255 ( -6.336 -3.658 -11.881) 13.953 5.550 ( 3.614 2.086 1.834) 4.558 6.922 ( 16.730 9.659 14.521) 24.168 7.584 ( -0.314 -0.181 -2.117) 2.148 7.821 ( 13.739 7.932 -19.168) 24.882 18.636 ( -5.313 -3.067 1.973) 6.444 20.020 ( -22.237 -12.839 4.157) 26.012======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( -3.917 -2.261 3.938) 5.997 1.370 ( 0.383 0.221 -13.619) 13.626 1.956 ( 10.211 5.896 15.818) 19.730 2.241 ( -0.218 -0.126 -10.219) 10.222 2.857 ( -12.143 -7.011 0.727) 14.040 3.511 ( 18.197 10.506 0.690) 21.024 5.655 ( 4.077 2.354 6.737) 8.219 7.193 ( 1.108 0.639 26.348) 26.379 7.560 ( -0.490 -0.283 -6.125) 6.151 8.172 ( 22.561 13.026 -25.282) 36.302 18.551 ( -2.887 -1.667 1.410) 3.619 19.528 ( -20.502 -11.837 -0.289) 23.675======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( 0.000 9.501 9.868) 13.698 0.970 ( 0.000 29.570 7.967) 30.624 1.715 ( -0.000 -2.117 -9.323) 9.560 1.829 ( -0.000 4.047 -12.315) 12.963 2.652 ( 0.000 1.176 29.393) 29.417 3.770 ( -0.000 -7.170 -18.296) 19.651 5.482 ( -0.000 3.752 -7.569) 8.448 5.694 ( -0.000 25.192 -6.330) 25.975 7.555 ( 0.000 -2.014 5.766) 6.108 7.622 ( 0.000 2.680 1.566) 3.104 18.964 ( -0.000 -7.442 -0.198) 7.444 20.890 ( 0.000 -15.267 3.541) 15.672======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 12.994 9.529 8.535) 18.234 1.324 ( 2.400 23.711 9.528) 25.666 1.657 ( -0.261 -2.504 -4.032) 4.753 1.884 ( 6.724 6.580 -15.482) 18.116 2.781 ( 1.873 2.835 23.358) 23.604 3.571 ( -6.059 -8.716 -15.333) 18.649 5.490 ( -0.246 5.271 -4.251) 6.776 6.145 ( 18.749 29.166 -4.716) 34.992 7.566 ( 1.299 -2.142 3.897) 4.633 7.645 ( 0.074 2.144 -1.892) 2.860 18.840 ( -4.585 -7.772 0.858) 9.064 20.633 ( -10.544 -19.056 4.544) 22.248======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( 8.193 6.106 1.760) 10.368 1.497 ( -3.693 9.932 0.312) 10.601 1.682 ( 4.725 1.371 11.497) 12.505 2.071 ( 9.726 7.676 -12.526) 17.618 2.973 ( 7.109 6.674 15.854) 18.613 3.295 ( -8.867 -8.665 -12.555) 17.645 5.553 ( 1.808 5.842 0.084) 6.116 6.785 ( 21.013 25.402 4.194) 33.232 7.576 ( 0.446 -0.920 -0.171) 1.036 7.669 ( 3.734 1.630 -8.342) 9.284 18.691 ( -4.796 -5.451 1.254) 7.368 20.211 ( -16.549 -19.802 3.116) 25.994======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.304 ( -0.352 -0.981 -4.477) 4.597 1.475 ( -5.356 4.455 -2.316) 7.341 1.927 ( 9.086 9.196 15.313) 20.040 2.187 ( 2.597 1.615 -10.910) 11.330 2.971 ( -10.179 -10.053 1.032) 14.343 3.331 ( 14.769 11.482 0.842) 18.726 5.662 ( 2.912 5.912 4.606) 8.040 7.288 ( 5.551 11.312 24.426) 27.484 7.555 ( -1.220 0.216 -4.823) 4.979 7.825 ( 18.396 8.778 -23.697) 31.257 18.585 ( -3.041 -2.931 0.865) 4.311 19.717 ( -18.306 -18.022 -0.352) 25.691======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 0.000 10.908 11.281) 15.692 1.588 ( -0.000 12.858 -16.630) 21.021 1.632 ( 0.000 10.034 18.936) 21.430 1.829 ( -0.000 5.632 -13.521) 14.647 2.875 ( 0.000 4.280 17.794) 18.301 3.472 ( -0.000 -10.413 -13.875) 17.348 5.524 ( -0.000 5.420 -6.403) 8.389 6.316 ( 0.000 37.701 -1.003) 37.714 7.550 ( 0.000 -2.364 5.086) 5.608 7.652 ( -0.000 0.675 -2.657) 2.741 18.797 ( 0.000 -8.644 0.681) 8.671 20.522 ( 0.000 -23.613 3.923) 23.937======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 8.129 7.148 10.036) 14.761 1.553 ( 1.172 -1.597 -7.872) 8.118 1.768 ( -3.495 11.528 1.402) 12.128 1.982 ( 7.131 11.326 -1.868) 13.514 3.013 ( 2.924 8.224 11.804) 14.681 3.273 ( -4.786 -10.623 -11.557) 16.411 5.576 ( 1.915 6.097 -4.037) 7.559 6.807 ( 11.939 36.140 -0.015) 38.061 7.553 ( 0.898 -1.806 3.778) 4.282 7.637 ( -0.747 -0.429 -2.427) 2.575 18.695 ( -2.399 -6.761 0.466) 7.189 20.213 ( -8.336 -24.776 2.579) 26.268======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( -0.361 -0.626 -0.000) 0.723 1.556 ( -0.058 -0.100 -0.000) 0.116 1.925 ( 8.057 13.955 -0.000) 16.114 2.139 ( 2.111 3.657 -0.000) 4.223 3.011 ( -7.249 -12.556 0.000) 14.498 3.259 ( 8.123 14.070 -0.000) 16.246 5.680 ( 3.628 6.284 -0.000) 7.256 7.373 ( 14.272 24.720 -0.000) 28.544 7.582 ( 2.487 4.308 0.000) 4.974 7.603 ( -0.991 -1.716 -0.000) 1.982 18.599 ( -2.309 -4.000 -0.000) 4.619 19.787 ( -13.148 -22.773 -0.000) 26.296======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 0.000 6.080 13.062) 14.408 1.477 ( -0.000 -3.787 -8.015) 8.864 1.864 ( -0.000 8.816 -15.484) 17.818 2.074 ( 0.000 10.097 13.372) 16.756 3.115 ( 0.000 2.267 12.878) 13.076 3.175 ( -0.000 -0.923 -15.504) 15.531 5.594 ( -0.000 5.838 -6.006) 8.376 7.055 ( -0.000 32.642 -8.505) 33.732 7.543 ( 0.000 -1.819 5.191) 5.501 7.665 ( 0.000 4.019 8.047) 8.995 18.649 ( -0.000 -6.035 -0.272) 6.041 20.033 ( 0.000 -26.565 1.804) 26.626======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 0.000 -0.000 5.837) 5.837 0.584 ( 0.000 -0.000 5.837) 5.837 1.730 ( -0.000 0.000 -7.838) 7.838 1.730 ( -0.000 0.000 -7.838) 7.838 2.748 ( 0.000 -0.000 26.418) 26.418 3.775 ( -0.000 0.000 -18.793) 18.793 5.412 ( -0.000 0.000 -4.760) 4.760 5.412 ( -0.000 0.000 -4.760) 4.760 7.599 ( 0.000 -0.000 3.545) 3.545 7.599 ( 0.000 -0.000 3.545) 3.545 19.041 ( -0.000 0.000 -0.866) 0.866 21.052 ( 0.000 -0.000 0.759) 0.759======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 11.759 6.789 0.628) 13.593 0.939 ( 22.069 12.741 9.799) 27.302 1.681 ( -0.755 -0.436 -1.359) 1.615 1.749 ( 3.095 1.787 -11.481) 12.024 2.838 ( 0.525 0.303 19.685) 19.694 3.641 ( -5.946 -3.433 -13.877) 15.483 5.412 ( 1.688 0.974 -1.525) 2.475 5.684 ( 22.745 13.132 -5.284) 26.790 7.609 ( -0.435 -0.251 0.999) 1.118 7.612 ( 0.552 0.319 2.551) 2.629 18.962 ( -6.094 -3.518 -0.073) 7.037 20.910 ( -12.051 -6.958 1.527) 13.999======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 11.676 6.741 -7.029) 15.205 1.400 ( 9.128 5.270 16.683) 19.734 1.702 ( 2.194 1.266 8.276) 8.655 1.844 ( 11.915 6.879 -18.616) 23.148 2.935 ( 3.924 2.266 9.858) 10.850 3.415 ( -10.089 -5.825 -6.355) 13.271 5.476 ( 3.711 2.143 2.099) 4.772 6.325 ( 31.996 18.473 -2.548) 37.033 7.589 ( -1.169 -0.675 -1.929) 2.354 7.636 ( 1.015 0.586 0.060) 1.174 18.797 ( -7.457 -4.305 0.529) 8.627 20.538 ( -19.901 -11.490 1.007) 23.002======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.739 ( 0.000 11.326 6.301) 12.961 1.009 ( 0.000 29.810 -1.677) 29.857 1.669 ( 0.000 -1.243 1.801) 2.189 1.716 ( -0.000 1.980 -7.391) 7.651 2.895 ( 0.000 0.328 11.173) 11.178 3.602 ( -0.000 -6.239 -8.555) 10.588 5.422 ( -0.000 2.930 -3.228) 4.360 5.656 ( 0.000 25.510 -0.387) 25.513 7.601 ( 0.000 -1.324 2.510) 2.838 7.629 ( -0.000 0.857 -0.439) 0.963 18.962 ( -0.000 -6.881 -0.072) 6.881 20.913 ( 0.000 -13.807 0.882) 13.835======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 7.790 13.493 -0.000) 15.581 1.369 ( 10.032 17.375 -0.000) 20.063 1.681 ( 0.238 0.412 0.000) 0.476 1.753 ( 4.003 6.934 -0.000) 8.007 2.933 ( 1.232 2.134 -0.000) 2.464 3.463 ( -5.115 -8.860 -0.000) 10.231 5.466 ( 2.274 3.938 -0.000) 4.547 6.118 ( 17.892 30.990 -0.000) 35.784 7.591 ( -0.657 -1.139 -0.000) 1.315 7.633 ( 0.130 0.226 -0.000) 0.260 18.845 ( -4.330 -7.499 -0.000) 8.659 20.657 ( -10.561 -18.293 -0.000) 21.123======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 6.24e-05 6.53e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( 0.000 -0.000 0.000) 0.000 0.618 ( 0.000 -0.000 0.000) 0.000 1.685 ( 0.000 -0.000 0.000) 0.000 1.685 ( 0.000 -0.000 0.000) 0.000 2.915 ( 0.000 -0.000 0.000) 0.000 3.649 ( 0.000 -0.000 0.000) 0.000 5.386 ( 0.000 -0.000 0.000) 0.000 5.386 ( 0.000 -0.000 0.000) 0.000 7.619 ( 0.000 -0.000 0.000) 0.000 7.619 ( 0.000 -0.000 0.000) 0.000 19.036 ( 0.000 -0.000 0.000) 0.000 21.056 ( 0.000 -0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 249.319 249.319 427.239 -0.000 0.000 -0.000 3/32928 20.0 130.964 130.964 232.674 -0.000 0.000 -0.000 3/32928 30.0 81.535 81.535 151.077 -0.000 0.000 -0.000 3/32928 40.0 57.340 57.340 107.144 -0.000 0.000 -0.000 3/32928 50.0 43.057 43.057 80.494 -0.000 0.000 -0.000 3/32928 60.0 33.840 33.840 63.269 -0.000 0.000 -0.000 3/32928 70.0 27.574 27.574 51.596 -0.000 0.000 -0.000 3/32928 80.0 23.136 23.136 43.346 -0.000 0.000 -0.000 3/32928 90.0 19.876 19.876 37.292 -0.000 0.000 -0.000 3/32928 100.0 17.403 17.403 32.701 -0.000 0.000 -0.000 3/32928 110.0 15.475 15.475 29.120 -0.000 0.000 -0.000 3/32928 120.0 13.936 13.936 26.258 -0.000 0.000 -0.000 3/32928 130.0 12.682 12.682 23.924 -0.000 0.000 -0.000 3/32928 140.0 11.644 11.644 21.987 -0.000 0.000 -0.000 3/32928 150.0 10.770 10.770 20.354 -0.000 0.000 -0.000 3/32928 160.0 10.026 10.026 18.960 -0.000 0.000 -0.000 3/32928 170.0 9.384 9.384 17.756 -0.000 0.000 -0.000 3/32928 180.0 8.825 8.825 16.705 -0.000 0.000 -0.000 3/32928 190.0 8.333 8.333 15.780 -0.000 0.000 -0.000 3/32928 200.0 7.898 7.898 14.958 -0.000 0.000 -0.000 3/32928 210.0 7.509 7.509 14.224 -0.000 0.000 -0.000 3/32928 220.0 7.159 7.159 13.562 -0.000 0.000 -0.000 3/32928 230.0 6.843 6.843 12.964 -0.000 0.000 -0.000 3/32928 240.0 6.555 6.555 12.419 -0.000 0.000 -0.000 3/32928 250.0 6.293 6.293 11.920 -0.000 0.000 -0.000 3/32928 260.0 6.051 6.051 11.463 -0.000 0.000 -0.000 3/32928 270.0 5.829 5.829 11.041 -0.000 0.000 -0.000 3/32928 280.0 5.624 5.624 10.650 -0.000 0.000 -0.000 3/32928 290.0 5.433 5.433 10.287 -0.000 0.000 -0.000 3/32928 300.0 5.255 5.255 9.949 -0.000 0.000 -0.000 3/32928 310.0 5.089 5.089 9.634 -0.000 0.000 -0.000 3/32928 320.0 4.934 4.934 9.339 -0.000 0.000 -0.000 3/32928 330.0 4.788 4.788 9.061 -0.000 0.000 -0.000 3/32928 340.0 4.651 4.651 8.801 -0.000 0.000 -0.000 3/32928 350.0 4.522 4.522 8.555 -0.000 0.000 -0.000 3/32928 360.0 4.400 4.400 8.323 -0.000 0.000 -0.000 3/32928 370.0 4.285 4.285 8.103 -0.000 0.000 -0.000 3/32928 380.0 4.175 4.175 7.895 -0.000 0.000 -0.000 3/32928 390.0 4.071 4.071 7.698 -0.000 0.000 -0.000 3/32928 400.0 3.973 3.973 7.510 -0.000 0.000 -0.000 3/32928 410.0 3.879 3.879 7.332 -0.000 0.000 -0.000 3/32928 420.0 3.789 3.789 7.161 -0.000 0.000 -0.000 3/32928 430.0 3.704 3.704 6.999 -0.000 0.000 -0.000 3/32928 440.0 3.622 3.622 6.844 -0.000 0.000 -0.000 3/32928 450.0 3.544 3.544 6.696 -0.000 0.000 -0.000 3/32928 460.0 3.470 3.470 6.554 -0.000 0.000 -0.000 3/32928 470.0 3.398 3.398 6.418 -0.000 0.000 -0.000 3/32928 480.0 3.329 3.329 6.288 -0.000 0.000 -0.000 3/32928 490.0 3.263 3.263 6.162 -0.000 0.000 -0.000 3/32928 500.0 3.200 3.200 6.042 -0.000 0.000 -0.000 3/32928 510.0 3.139 3.139 5.926 -0.000 0.000 -0.000 3/32928 520.0 3.080 3.080 5.815 -0.000 0.000 -0.000 3/32928 530.0 3.024 3.024 5.708 -0.000 0.000 -0.000 3/32928 540.0 2.970 2.970 5.605 -0.000 0.000 -0.000 3/32928 550.0 2.917 2.917 5.505 -0.000 0.000 -0.000 3/32928 560.0 2.866 2.866 5.409 -0.000 0.000 -0.000 3/32928 570.0 2.817 2.817 5.316 -0.000 0.000 -0.000 3/32928 580.0 2.770 2.770 5.227 -0.000 0.000 -0.000 3/32928 590.0 2.724 2.724 5.140 -0.000 0.000 -0.000 3/32928 600.0 2.680 2.680 5.056 -0.000 0.000 -0.000 3/32928 610.0 2.637 2.637 4.975 -0.000 0.000 -0.000 3/32928 620.0 2.596 2.596 4.896 -0.000 0.000 -0.000 3/32928 630.0 2.556 2.556 4.820 -0.000 0.000 -0.000 3/32928 640.0 2.517 2.517 4.746 -0.000 0.000 -0.000 3/32928 650.0 2.479 2.479 4.675 -0.000 0.000 -0.000 3/32928 660.0 2.442 2.442 4.605 -0.000 0.000 -0.000 3/32928 670.0 2.407 2.407 4.538 -0.000 0.000 -0.000 3/32928 680.0 2.372 2.372 4.472 -0.000 0.000 -0.000 3/32928 690.0 2.338 2.338 4.409 -0.000 0.000 -0.000 3/32928 700.0 2.306 2.306 4.347 -0.000 0.000 -0.000 3/32928 710.0 2.274 2.274 4.287 -0.000 0.000 -0.000 3/32928 720.0 2.243 2.243 4.228 -0.000 0.000 -0.000 3/32928 730.0 2.213 2.213 4.171 -0.000 0.000 -0.000 3/32928 740.0 2.184 2.184 4.116 -0.000 0.000 -0.000 3/32928 750.0 2.155 2.155 4.062 -0.000 0.000 -0.000 3/32928 760.0 2.127 2.127 4.010 -0.000 0.000 -0.000 3/32928 770.0 2.100 2.100 3.958 -0.000 0.000 -0.000 3/32928 780.0 2.074 2.074 3.908 -0.000 0.000 -0.000 3/32928 790.0 2.048 2.048 3.860 -0.000 0.000 -0.000 3/32928 800.0 2.023 2.023 3.812 -0.000 0.000 -0.000 3/32928 810.0 1.998 1.998 3.766 -0.000 0.000 -0.000 3/32928 820.0 1.975 1.975 3.721 -0.000 0.000 -0.000 3/32928 830.0 1.951 1.951 3.677 -0.000 0.000 -0.000 3/32928 840.0 1.928 1.928 3.633 -0.000 0.000 -0.000 3/32928 850.0 1.906 1.906 3.591 -0.000 0.000 -0.000 3/32928 860.0 1.884 1.884 3.550 -0.000 0.000 -0.000 3/32928 870.0 1.863 1.863 3.510 -0.000 0.000 -0.000 3/32928 880.0 1.842 1.842 3.471 -0.000 0.000 -0.000 3/32928 890.0 1.822 1.822 3.432 -0.000 0.000 -0.000 3/32928 900.0 1.802 1.802 3.395 -0.000 0.000 -0.000 3/32928 910.0 1.782 1.782 3.358 -0.000 0.000 -0.000 3/32928 920.0 1.763 1.763 3.322 -0.000 0.000 -0.000 3/32928 930.0 1.745 1.745 3.286 -0.000 0.000 -0.000 3/32928 940.0 1.726 1.726 3.252 -0.000 0.000 -0.000 3/32928 950.0 1.709 1.709 3.218 -0.000 0.000 -0.000 3/32928 960.0 1.691 1.691 3.185 -0.000 0.000 -0.000 3/32928 970.0 1.674 1.674 3.153 -0.000 0.000 -0.000 3/32928 980.0 1.657 1.657 3.121 -0.000 0.000 -0.000 3/32928 990.0 1.641 1.641 3.090 -0.000 0.000 -0.000 3/32928 1000.0 1.624 1.624 3.059 -0.000 0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 19:52:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|