subroutine hybrid_correlation_energy(DFA,nEns,wEns,nGrid,weight,rho,drho,Ec) ! Compute the unrestricted version of the correlation energy for hybrid functionals 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 double precision :: EcLDA(nsp) double precision :: EcGGA(nsp) double precision :: aC ! Output variables double precision,intent(out) :: Ec(nsp) select case (DFA) case(1) Ec(:) = 0d0 case(2) aC = 0.81d0 call lda_correlation_energy(3,nEns,wEns,nGrid,weight,rho,EcLDA) call gga_correlation_energy(1,nEns,wEns,nGrid,weight,rho,drho,EcGGA) Ec(:) = EcLDA(:) + aC*(EcGGA(:) - EcLDA(:)) case(3) call gga_correlation_energy(1,nEns,wEns,nGrid,weight,rho,drho,Ec) case(4) call gga_correlation_energy(2,nEns,wEns,nGrid,weight,rho,drho,Ec) case default call print_warning('!!! Hybrid correlation energy not available !!!') stop end select end subroutine hybrid_correlation_energy