subroutine lda_exchange_potential(DFA,nEns,wEns,nGrid,weight,nBas,AO,rho,Fx) ! 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) ! Output variables double precision,intent(out) :: Fx(nBas,nBas) ! Select exchange functional select case (DFA) ! Slater's LDA correlation functional: Slater, Phys. Rev. 81 (1951) 385 case ('S51') call S51_lda_exchange_potential(nGrid,weight,nBas,AO,rho,Fx) case default call print_warning('!!! LDA exchange functional not available !!!') stop end select end subroutine lda_exchange_potential