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configuration_1 = nlread('au.cif',BulkConfiguration)[-1]configuration_2 = nlread('MoSe2.cif',BulkConfiguration)[-1]generalized_lattice_match = GeneralizedLatticeMatch( configuration_1, configuration_2, max_strain=0.02, maximum_miller_index=1, longest_surface_lattice_vector=100*Angstrom, max_surface_area=10000.0*Angstrom**2, user_given_miller_index=(1,1,1) )
data_global_cell_length_a 2.97513963_cell_length_b 2.97513963_cell_length_c 2.97513963_cell_angle_alpha 60.00000000_cell_angle_beta 60.00000000_cell_angle_gamma 60.00000000_symmetry_space_group_name_H-M 'P -1'loop__symmetry_equiv_pos_as_xyz 'x,y,z'loop__atom_site_label_atom_site_fract_x_atom_site_fract_y_atom_site_fract_zAu 0.00000000 0.00000000 0.00000000
data_global_cell_length_a 3.32910723_cell_length_b 3.32910723_cell_length_c 13.06127836_cell_angle_alpha 90.00000000_cell_angle_beta 90.00000000_cell_angle_gamma 120.00000000_symmetry_space_group_name_H-M 'P -1'loop__symmetry_equiv_pos_as_xyz 'x,y,z'loop__atom_site_label_atom_site_fract_x_atom_site_fract_y_atom_site_fract_zMo 0.33333300 0.66666700 0.25000000Se 0.66666700 0.33333300 0.12100000Se 0.66666700 0.33333300 0.37900000
+----------------------------------------------------------------------------------------+| A B Strain Atoms Area Aspect Angle Rotation |+----------------------------------------------------------------------------------------+[ 1 1 1] >-< [ 0 0 1] 0.000050 1750 69.0 1.0 60.0 19.1[ 1 1 1] >-< [ 0 0 1] 0.000070 1705 69.0 1.0 60.0 19.1[ 1 1 1] >-< [ 0 0 1] 0.000110 232 69.0 1.0 60.0 19.1
Is there an easy way of actually assemble this interface? I have not managed to get the same interfaces through the Interface Builder in VNL and the output of GeneralizedLatticeMatch is not sufficient to create it manually.