subroutine unrestricted_lda_correlation_derivative_discontinuity(DFA,nEns,wEns,nGrid,weight,rhow,Ec) ! Compute the correlation LDA part of the derivative discontinuity 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) :: rhow(nGrid,nspin) ! Local variables double precision :: aC ! Output variables double precision,intent(out) :: Ec(nsp,nEns) ! Select correlation functional select case (DFA) ! Wigner's LDA correlation functional: Wigner, Trans. Faraday Soc. 34 (1938) 678 case ('W38') Ec(:,:) = 0d0 ! Vosko, Wilk and Nusair's functional V: Can. J. Phys. 58 (1980) 1200 case ('VWN5') Ec(:,:) = 0d0 case default call print_warning('!!! LDA correlation functional not available !!!') stop end select end subroutine unrestricted_lda_correlation_derivative_discontinuity