def test_read_fermi_contact_shift(self): filepath = os.path.join(test_dir, "OUTCAR_fc") outcar = Outcar(filepath) outcar.read_fermi_contact_shift() self.assertAlmostEqual(outcar.data["fermi_contact_shift"][u'fch'][0][0], -0.002) self.assertAlmostEqual(outcar.data["fermi_contact_shift"][u'th'][0][0], -0.052) self.assertAlmostEqual(outcar.data["fermi_contact_shift"][u'dh'][0][0], 0.0)