subroutine unrestricted_gga_correlation_energy(DFA,nEns,wEns,nGrid,weight,rho,drho,Ec) ! Compute unrstricted GGA correlation energy implicit none include 'parameters.h' ! Input variables character(len=12),intent(in) :: DFA integer,intent(in) :: nEns double precision,intent(in) :: wEns(nEns) integer,intent(in) :: nGrid double precision,intent(in) :: weight(nGrid) double precision,intent(in) :: rho(nGrid,nspin) double precision,intent(in) :: drho(ncart,nGrid,nspin) ! Local variables integer :: iG double precision :: ra,rb,ga,gb ! Output variables double precision :: Ec(nsp) ! Coefficients for ??? GGA exchange functional ! Compute GGA exchange energy Ec(:) = 0d0 do iG=1,nGrid ra = rho(iG,1) rb = rho(iG,2) ga = drho(1,iG,1)**2 + drho(2,iG,1)**2 + drho(3,iG,1)**2 gb = drho(1,iG,2)**2 + drho(2,iG,2)**2 + drho(3,iG,2)**2 enddo end subroutine unrestricted_gga_correlation_energy