subroutine gga_correlation_energy(DFA,nEns,wEns,nGrid,weight,rho,drho,Ec) ! Compute unrestricted GGA correlation energy implicit none include 'parameters.h' ! Input variables integer,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) select case (DFA) case (1) call LYP_gga_correlation_energy(nGrid,weight,rho,drho,Ec) case (2) call PBE_gga_correlation_energy(nGrid,weight,rho,drho,Ec) case default call print_warning('!!! GGA correlation energy not available !!!') stop end select end subroutine gga_correlation_energy