subroutine renormalization_factor_SOSEX(eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,Z) ! Compute renormalization factor for the SOSEX version of GW implicit none include 'parameters.h' ! Input variables double precision,intent(in) :: eta integer,intent(in) :: nBas integer,intent(in) :: nC integer,intent(in) :: nO integer,intent(in) :: nV integer,intent(in) :: nR integer,intent(in) :: nS double precision,intent(in) :: e(nBas) double precision,intent(in) :: Omega(nS,nspin) double precision,intent(in) :: rho(nBas,nBas,nS,nspin) ! Local variables integer :: ispin integer :: i,j,a,b,p,jb double precision :: eps ! Output variables double precision,intent(out) :: Z(nBas) ! Initialize Z(:) = 0d0 ! Occupied part of the correlation self-energy do p=nC+1,nBas-nR do i=nC+1,nO jb = 0 do j=nC+1,nO do b=nO+1,nBas-nR jb = jb + 1 do ispin=1,nspin eps = e(p) - e(i) + Omega(jb,ispin) Z(p) = Z(p) - 2d0*rho(p,i,jb,ispin)**2*(eps/(eps**2 + eta**2))**2 end do end do end do end do end do ! Virtual part of the correlation self-energy do p=nC+1,nBas-nR do a=nO+1,nBas-nR jb = 0 do j=nC+1,nO do b=nO+1,nBas-nR jb = jb + 1 do ispin=1,nspin eps = e(p) - e(a) - Omega(jb,ispin) Z(p) = Z(p) - 2d0*rho(p,a,jb,ispin)**2*(eps/(eps**2 + eta**2))**2 end do end do end do end do end do ! Compute renormalization factor from derivative of SigC Z(:) = 1d0/(1d0 - Z(:)) end subroutine renormalization_factor_SOSEX