subroutine lda_correlation_individual_energy(DFA,nEns,wEns,nGrid,weight,rhow,rho,Ec) ! Compute LDA correlation energy for individual states 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) double precision,intent(in) :: rho(nGrid,nspin) ! Output variables double precision :: Ec(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_individual_energy(nGrid,weight(:),rhow(:,:),rho(:,:),Ec(:)) ! Vosko, Wilk and Nusair's functional V: Can. J. Phys. 58 (1980) 1200 case ('VWN5') call VWN5_lda_correlation_individual_energy(nGrid,weight(:),rhow(:,:),rho(:,:),Ec(:)) ! Loos-Fromager weight-dependent correlation functional: Loos and Fromager (in preparation) case ('LF19') call LF19_lda_correlation_individual_energy(nEns,wEns,nGrid,weight(:),rhow(:,:),rho(:,:),Ec(:)) case default call print_warning('!!! LDA correlation functional not available !!!') stop end select end subroutine lda_correlation_individual_energy