subroutine unrestricted_spatial_to_spin_MO_energy(nBas,e,nBas2,se) ! Convert MO energies from unrestricted spatial to spin orbitals implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas integer,intent(in) :: nBas2 double precision,intent(in) :: e(nBas,nspin) ! Local variables integer :: p ! Output variables double precision,intent(out) :: se(nBas2) do p=1,nBas2,2 se(p) = e(p,1) enddo do p=2,nBas2,2 se(p) = e(p,2) enddo end subroutine unrestricted_spatial_to_spin_MO_energy