subroutine restricted_elda_exchange_energy(nEns,Cx,nGrid,weight,rho,Ex) ! Compute the restricted LDA exchange energy of 2-glomium for various states implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nEns double precision,intent(in) :: Cx integer,intent(in) :: nGrid double precision,intent(in) :: weight(nGrid) double precision,intent(in) :: rho(nGrid) ! Local variables integer :: iG double precision :: r ! Output variables double precision,intent(out) :: Ex ! Compute eLDA exchange energy Ex = 0d0 do iG=1,nGrid r = max(0d0,rho(iG)) if(r > threshold) then Ex = Ex + weight(iG)*Cx*r**(4d0/3d0) end if end do end subroutine restricted_elda_exchange_energy