diff --git a/src/hartree_fock/scf.irp.f b/src/hartree_fock/scf.irp.f index dd85bba8..7a24bf97 100644 --- a/src/hartree_fock/scf.irp.f +++ b/src/hartree_fock/scf.irp.f @@ -92,8 +92,11 @@ subroutine run integer :: i_it, i, j, k mo_label = "Orthonormalized" - - call roothaan_hall_scf + if (is_periodic) then + call roothan_hall_scf_complex + else + call roothaan_hall_scf + endif call ezfio_set_hartree_fock_energy(SCF_energy) end