# Conversion: from triqs_dft_tools.converters.wien2k_converter import * Converter = Wien2kConverter(filename = "Sr2MgOsO6_noSOC") Converter.convert_dft_input() import numpy numpy.set_printoptions(precision=3, suppress=True) # Set up SK class: from triqs_dft_tools.sumk_dft import * SK = SumkDFT(hdf_file='Sr2MgOsO6.h5',use_dft_blocks=True) eal = SK.eff_atomic_levels() mat = SK.calculate_diagonalization_matrix(prop_to_be_diagonal='eal')