subroutine Bethe_Salpeter_B_matrix_dynamic(eta,nBas,nC,nO,nV,nR,nS,lambda,eGW,OmRPA,OmBSE,rho,B_dyn) ! Compute the dynamic part of the Bethe-Salpeter equation matrices implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas,nC,nO,nV,nR,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) :: OmBSE double precision,intent(in) :: rho(nBas,nBas,nS) ! Local variables integer :: maxS double precision :: chi double precision :: eps integer :: i,j,a,b,ia,jb,kc ! Output variables double precision,intent(out) :: B_dyn(nS,nS) ! Initialization B_dyn(:,:) = 0d0 ! Number of poles taken into account maxS = nS ! Build dynamic A matrix ia = 0 do i=nC+1,nO do a=nO+1,nBas-nR ia = ia + 1 jb = 0 do j=nC+1,nO do b=nO+1,nBas-nR jb = jb + 1 chi = 0d0 do kc=1,maxS eps = OmRPA(kc)**2 + eta**2 chi = chi + rho(i,b,kc)*rho(a,j,kc)*OmRPA(kc)/eps enddo B_dyn(ia,jb) = B_dyn(ia,jb) - 4d0*lambda*chi chi = 0d0 do kc=1,maxS eps = (OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)))**2 + eta**2 chi = chi + rho(i,b,kc)*rho(a,j,kc)*(OmBSE - OmRPA(kc) - (eGW(j) - eGW(i)))/eps eps = (OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)))**2 + eta**2 chi = chi + rho(i,b,kc)*rho(a,j,kc)*(OmBSE - OmRPA(kc) - (eGW(a) - eGW(b)))/eps enddo B_dyn(ia,jb) = B_dyn(ia,jb) - 2d0*lambda*chi enddo enddo enddo enddo end subroutine Bethe_Salpeter_B_matrix_dynamic