subroutine restricted_lda_correlation_individual_energy(DFA,LDA_centered,nEns,wEns,nGrid,weight,rhow,rho,Ec) ! Compute LDA correlation energy for individual states implicit none include 'parameters.h' ! Input variables logical,intent(in) :: LDA_centered 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) double precision,intent(in) :: rho(nGrid) ! Output variables double precision :: Ec ! Select correlation functional select case (DFA) ! Vosko, Wilk and Nusair's functional V: Can. J. Phys. 58 (1980) 1200 case ('VWN5') call RVWN5_lda_correlation_individual_energy(nGrid,weight(:),rhow(:),rho(:),Ec) ! Marut-Fromager-Loos weight-dependent correlation functional case ('MFL20') call RMFL20_lda_correlation_individual_energy(LDA_centered,nEns,wEns,nGrid,weight(:),rhow(:),rho(:),Ec) case default call print_warning('!!! LDA correlation functional not available !!!') stop end select end subroutine restricted_lda_correlation_individual_energy