subroutine lda_correlation_Levy_Zahariev_shift(DFA,nEns,wEns,nGrid,weight,rho,EcLZ) ! Compute the lda correlation part of the Levy-Zahariev shift 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) ! Output variables double precision,intent(out) :: EcLZ(nsp) ! Select correlation functional select case (DFA) ! Wigner's LDA correlation functional: Wigner, Trans. Faraday Soc. 34 (1938) 678 case ('W38') call W38_lda_correlation_Levy_Zahariev_shift(nGrid,weight(:),rho(:,:),EcLZ(:)) ! Vosko, Wilk and Nusair's functional V: Can. J. Phys. 58 (1980) 1200 case ('VWN5') call VWN5_lda_correlation_Levy_Zahariev_shift(nGrid,weight(:),rho(:,:),EcLZ(:)) ! Loos-Fromager weight-dependent correlation functional: Loos and Fromager (in preparation) case ('LF19') call LF19_lda_correlation_Levy_Zahariev_shift(nEns,wEns,nGrid,weight(:),rho(:,:),EcLZ(:)) case default call print_warning('!!! LDA correlation functional not available !!!') stop end select end subroutine lda_correlation_Levy_Zahariev_shift