subroutine restricted_lda_correlation_potential(DFA,LDA_centered,nEns,wEns,nGrid,weight,nBas,AO,rho,Fc) ! Select LDA correlation potential 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) integer,intent(in) :: nBas double precision,intent(in) :: AO(nBas,nGrid) double precision,intent(in) :: rho(nGrid) ! Output variables double precision,intent(out) :: Fc(nBas,nBas) ! Select correlation functional select case (DFA) ! Hartree-Fock case ('HF') Fc(:,:) = 0d0 case ('VWN5') call RVWN5_lda_correlation_potential(nGrid,weight(:),nBas,AO(:,:),rho(:),Fc(:,:)) case ('MFL20') call RMFL20_lda_correlation_potential(LDA_centered,nEns,wEns(:),nGrid,weight(:),nBas,AO(:,:),rho(:),Fc(:,:)) case default call print_warning('!!! LDA correlation functional not available !!!') stop end select end subroutine restricted_lda_correlation_potential