subroutine spatial_to_spin_fock(nBas,F,nBas2,sF) ! Convert Fock matrix from spatial to spin orbitals implicit none ! Input variables integer,intent(in) :: nBas,nBas2 double precision,intent(in) :: F(nBas,nBas) ! Local variables integer :: p,q double precision,external :: Kronecker_delta ! Output variables double precision,intent(out) :: sF(nBas2,nBas2) do p=1,nBas2 do q=1,nBas2 sF(p,q) = Kronecker_delta(mod(p,2),mod(q,2))*F((p+1)/2,(q+1)/2) end do end do end subroutine