import unittest import numpy as np import sys sys.path.insert(1, '../python/converters/') from triqs_dft_tools.converters.wannier90_converter import Wannier90Converter from triqs_dft_tools import SumkDFT class test_w90_conv(unittest.TestCase): def test_hopping(self): conv1 = Wannier90Converter(seedname='LaVO3-Pnma') conv1.convert_dft_input() SK1 = SumkDFT(hdf_file='LaVO3-Pnma.h5') conv2 = Wannier90Converter(seedname='LaVO3-Pnma_ef') conv2.convert_dft_input() SK2 = SumkDFT(hdf_file='LaVO3-Pnma_ef.h5') for ik in range(SK1.n_k): self.assertTrue(np.all(SK1.hopping[ik,0] - conv2.fermi_energy*np.identity(SK1.n_orbitals[ik][0]) - SK2.hopping[ik,0] < 1e-12)) if __name__ == '__main__': unittest.main()