subroutine S51_lda_exchange_energy(nGrid,weight,rho,Ex) ! Compute Slater's LDA exchange energy implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nGrid double precision,intent(in) :: weight(nGrid) double precision,intent(in) :: rho(nGrid) ! Local variables integer :: iG double precision :: alpha,r ! Output variables double precision :: Ex ! Cx coefficient for Slater LDA exchange alpha = -(3d0/2d0)*(3d0/(4d0*pi))**(1d0/3d0) ! Compute LDA exchange energy Ex = 0d0 do iG=1,nGrid r = max(0d0,rho(iG)) if(r > threshold) then Ex = Ex + weight(iG)*alpha*r**(4d0/3d0) endif enddo end subroutine S51_lda_exchange_energy