import numpy as np from triqs_dft_tools.converters.wannier90 import Wannier90Converter from triqs_dft_tools import SumkDFT subfolder = 'w90_convert/' seedname = subfolder+'LaVO3-Pnma' conv1 = Wannier90Converter(seedname=seedname) conv1.convert_dft_input() SK1 = SumkDFT(hdf_file=seedname+'.h5') conv2 = Wannier90Converter(seedname=seedname+'_ef') conv2.convert_dft_input() SK2 = SumkDFT(hdf_file=seedname+'_ef.h5') for ik in range(SK1.n_k): assert np.allclose(SK1.hopping[ik,0] - conv2.fermi_energy*np.identity(SK1.n_orbitals[ik][0]), SK2.hopping[ik,0], atol=1e-12, rtol=0)