diff --git a/pyscf/dft2/libxc.py b/pyscf/dft2/libxc.py index 521a71bd..586575d8 100644 --- a/pyscf/dft2/libxc.py +++ b/pyscf/dft2/libxc.py @@ -874,8 +874,8 @@ def _libxc_to_xcfun_indices(xctype, spin=0, deriv=1): def _eval_xc(xc_code, rho, spin=0, deriv=1, omega=None): xc = _get_xc(xc_code, spin) - assert deriv <= max_deriv_order(xc_code) - xctype = xc_type(xc_code) + assert deriv <= xc.max_deriv_order + xctype = xc.xc_type assert xctype in ('HF', 'LDA', 'GGA', 'MGGA') rho = numpy.asarray(rho, order='C', dtype=numpy.double)