subroutine GW_ppBSE_dynamic_kernel_B(ispin,eta,nBas,nC,nO,nV,nR,nS,nOO,nVV,lambda,eGW,Om,rho,OmBSE,KB_dyn) ! Compute the dynamic part of the Bethe-Salpeter equation matrices implicit none include 'parameters.h' ! Input variables integer,intent(in) :: ispin integer,intent(in) :: nBas integer,intent(in) :: nC integer,intent(in) :: nO integer,intent(in) :: nV integer,intent(in) :: nR integer,intent(in) :: nS integer,intent(in) :: nOO integer,intent(in) :: nVV double precision,intent(in) :: eta double precision,intent(in) :: lambda double precision,intent(in) :: eGW(nBas) double precision,intent(in) :: Om(nS) double precision,intent(in) :: rho(nBas,nBas,nS) double precision,intent(in) :: OmBSE ! Local variables double precision :: dem,num integer :: m integer :: a,b,i,j integer :: ab,ij ! Output variables double precision,intent(out) :: KB_dyn(nVV,nOO) ! Initialization KB_dyn(:,:) = 0d0 ! Build dynamic A matrix if(ispin == 1) then ab = 0 do a=nO+1,nBas-nR do b=a,nBas-nR ab = ab + 1 ij = 0 do i=nC+1,nO do j=i,nO ij = ij + 1 do m=1,nS dem = eGW(j) - Om(m) - eGW(b) num = rho(a,i,m)*rho(b,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) + num*dem/(dem**2 + eta**2) dem = eGW(j) - Om(m) - eGW(a) num = rho(b,i,m)*rho(a,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) - num*dem/(dem**2 + eta**2) dem = eGW(i) - Om(m) - eGW(a) num = rho(a,i,m)*rho(b,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) + num*dem/(dem**2 + eta**2) dem = eGW(i) - Om(m) - eGW(b) num = rho(b,i,m)*rho(a,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) - num*dem/(dem**2 + eta**2) end do end do end do end do end do end if if(ispin == 2) then ab = 0 do a=nO+1,nBas-nR do b=a+1,nBas-nR ab = ab + 1 ij = 0 do i=nC+1,nO do j=i+1,nO ij = ij + 1 do m=1,nS dem = eGW(j) - Om(m) - eGW(b) num = rho(a,i,m)*rho(b,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) + num*dem/(dem**2 + eta**2) dem = eGW(j) - Om(m) - eGW(a) num = rho(b,i,m)*rho(a,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) - num*dem/(dem**2 + eta**2) dem = eGW(i) - Om(m) - eGW(a) num = rho(a,i,m)*rho(b,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) + num*dem/(dem**2 + eta**2) dem = eGW(i) - Om(m) - eGW(b) num = rho(b,i,m)*rho(a,j,m) KB_dyn(ab,ij) = KB_dyn(ab,ij) - num*dem/(dem**2 + eta**2) end do end do end do end do end do end if end subroutine