memory 8 GB

molecule Kr {
  0 1
  Kr 0. 0. 0. 
  }

set {
    basis cc-pvdz-dk
    basis_relativistic cc-pvtz-dk
    reference uhf
    maxiter 100
    ints_tolerance 1.e-14
    scf_type pk
    molden_with_virtual false
    relativistic dkh
    dkh_order 4
    }

E, wfn = energy('scf', return_wfn=True)
molden(wfn, 'Kr_0.molden')