subroutine unrestricted_lda_correlation_potential(DFA,nEns,wEns,nGrid,weight,nBas,AO,rho,Fc) ! Select LDA correlation potential 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) integer,intent(in) :: nBas double precision,intent(in) :: AO(nBas,nGrid) double precision,intent(in) :: rho(nGrid,nspin) ! Output variables double precision,intent(out) :: Fc(nBas,nBas,nspin) ! Select correlation functional select case (DFA) ! Hartree-Fock case ('HF') Fc(:,:,:) = 0d0 ! Wigner's LDA correlation functional: Wigner, Trans. Faraday Soc. 34 (1938) 678 case ('W38') call UW38_lda_correlation_potential(nGrid,weight(:),nBas,AO(:,:),rho(:,:),Fc(:,:,:)) ! Vosko, Wilk and Nusair's functional V: Can. J. Phys. 58 (1980) 1200 case ('VWN3') call UVWN3_lda_correlation_potential(nGrid,weight(:),nBas,AO(:,:),rho(:,:),Fc(:,:,:)) case ('VWN5') call UVWN5_lda_correlation_potential(nGrid,weight(:),nBas,AO(:,:),rho(:,:),Fc(:,:,:)) ! Chachiyo's LDA correlation functional: Chachiyo, JCP 145 (2016) 021101 case ('C16') call UC16_lda_correlation_potential(nGrid,weight(:),nBas,AO(:,:),rho(:,:),Fc(:,:,:)) case default call print_warning('!!! LDA correlation functional not available !!!') stop end select end subroutine unrestricted_lda_correlation_potential