subroutine GW_renormalization_factor(COHSEX,eta,nBas,nC,nO,nV,nR,nS,e,Omega,rho,Z) ! Compute renormalization factor for GW implicit none include 'parameters.h' ! Input variables logical,intent(in) :: COHSEX 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) double precision,intent(in) :: rho(nBas,nBas,nS) ! Local variables integer :: p,i,a,jb double precision :: eps ! Output variables double precision,intent(out) :: Z(nBas) ! Initialize Z(:) = 0d0 ! static COHSEX approximation if(COHSEX) then Z(:) = 1d0 return else ! Occupied part of the correlation self-energy do p=nC+1,nBas-nR do i=nC+1,nO do jb=1,nS eps = e(p) - e(i) + Omega(jb) Z(p) = Z(p) - 2d0*rho(p,i,jb)**2*(eps/(eps**2 + eta**2))**2 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 do jb=1,nS eps = e(p) - e(a) - Omega(jb) Z(p) = Z(p) - 2d0*rho(p,a,jb)**2*(eps/(eps**2 + eta**2))**2 end do end do end do end if ! Compute renormalization factor from derivative of SigC Z(:) = 1d0/(1d0 - Z(:)) end subroutine