subroutine GW_phBSE_dynamic_kernel_A(eta,nBas,nC,nO,nV,nR,nS,lambda,eGW,OmRPA,rho_RPA,OmBSE,KA_dyn,ZA_dyn) ! Compute the dynamic part of the Bethe-Salpeter equation matrices implicit none include 'parameters.h' ! Input variables 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) :: eta double precision,intent(in) :: lambda double precision,intent(in) :: eGW(nBas) double precision,intent(in) :: OmRPA(nS) double precision,intent(in) :: rho_RPA(nBas,nBas,nS) double precision,intent(in) :: OmBSE ! Local variables double precision :: chi double precision :: eps integer :: i,j,a,b,ia,jb,kc ! Output variables double precision,intent(out) :: KA_dyn(nS,nS) double precision,intent(out) :: ZA_dyn(nS,nS) ! Initialization KA_dyn(:,:) = 0d0 ZA_dyn(:,:) = 0d0 ! Build dynamic A matrix jb = 0 !$omp parallel do default(private) shared(KA_dyn,ZA_dyn,OmRPA,OmBSE,eGW,rho_RPA,nO,nBas,nS,chi,eps,eta,nC,nR,lambda) do j=nC+1,nO do b=nO+1,nBas-nR jb = (b-nO) + (j-1)*(nBas-nO) ia = 0 do i=nC+1,nO do a=nO+1,nBas-nR ia = (a-nO) + (i-1)*(nBas-nO) chi = 0d0 do kc=1,nS eps = + OmBSE - OmRPA(kc) - (eGW(a) - eGW(j)) chi = chi + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*eps/(eps**2 + eta**2) eps = + OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)) chi = chi + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*eps/(eps**2 + eta**2) end do KA_dyn(ia,jb) = KA_dyn(ia,jb) - 2d0*lambda*chi chi = 0d0 do kc=1,nS eps = + OmBSE - OmRPA(kc) - (eGW(a) - eGW(j)) chi = chi + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*(eps**2 - eta**2)/(eps**2 + eta**2)**2 eps = + OmBSE - OmRPA(kc) - (eGW(b) - eGW(i)) chi = chi + rho_RPA(i,j,kc)*rho_RPA(a,b,kc)*(eps**2 - eta**2)/(eps**2 + eta**2)**2 end do ZA_dyn(ia,jb) = ZA_dyn(ia,jb) + 2d0*lambda*chi end do end do end do end do !$omp end parallel do end subroutine