subroutine spatial_to_spin_MO_energy(nBas,e,nBas2,se) ! Convert MO energies from spatial to spin orbitals implicit none ! Input variables integer,intent(in) :: nBas,nBas2 double precision,intent(in) :: e(nBas) ! Local variables integer :: p ! Output variables double precision,intent(out) :: se(nBas2) do p=1,nBas2 se(p) = e((p+1)/2) end do ! print*,'MO energies in spinorbital basis' ! call matout(nBas2,1,se) end subroutine