subroutine GW_phBSE2_static_kernel_B(eta,nBas,nC,nO,nV,nR,nS,lambda,eW,W,KB2_sta) ! Compute the second-order static BSE kernel for the coupling block (only for singlets!) 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) :: lambda double precision,intent(in) :: eW(nBas) double precision,intent(in) :: W(nBas,nBas,nBas,nBas) ! Local variables double precision :: dem,num integer :: i,j,k,l integer :: a,b,c,d integer :: ia,jb ! Output variables double precision,intent(out) :: KB2_sta(nS,nS) !------------------------------------------------ ! Compute BSE2 kernel !------------------------------------------------ jb = 0 !$omp parallel do default(private) shared(KB2_sta,W,num,dem,eW,nO,nBas,eta,nC,nR) do j=nC+1,nO do b=nO+1,nBas-nR jb = (b-nO) + (j-1)*(nBas-nO) ia = 0 do i=nC+1,nO do a=nO+1,nBas-nR ia = (a-nO) + (i-1)*(nBas-nO) do k=nC+1,nO do c=nO+1,nBas-nR dem = - (eW(c) - eW(k)) num = 2d0*W(b,k,i,c)*W(a,c,j,k) KB2_sta(ia,jb) = KB2_sta(ia,jb) - num*dem/(dem**2 + eta**2) dem = + (eW(c) - eW(k)) num = 2d0*W(b,c,i,k)*W(a,k,j,c) KB2_sta(ia,jb) = KB2_sta(ia,jb) + num*dem/(dem**2 + eta**2) end do end do do c=nO+1,nBas-nR do d=nO+1,nBas-nR dem = - (eW(c) + eW(d)) num = 2d0*W(a,b,c,d)*W(c,d,i,j) KB2_sta(ia,jb) = KB2_sta(ia,jb) + num*dem/(dem**2 + eta**2) end do end do do k=nC+1,nO do l=nC+1,nO dem = - (eW(k) + eW(l)) num = 2d0*W(a,b,k,l)*W(k,l,i,j) KB2_sta(ia,jb) = KB2_sta(ia,jb) - num*dem/(dem**2 + eta**2) end do end do end do end do end do end do !$omp end parallel do end subroutine