subroutine lda_exchange_energy(DFA,LDA_centered,nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,Ex) ! Select LDA exchange functional implicit none include 'parameters.h' ! Input variables character(len=12),intent(in) :: DFA logical,intent(in) :: LDA_centered integer,intent(in) :: nEns double precision,intent(in) :: wEns(nEns) double precision,intent(in) :: aCC_w1(3) double precision,intent(in) :: aCC_w2(3) integer,intent(in) :: nGrid double precision,intent(in) :: weight(nGrid) double precision,intent(in) :: rho(nGrid) ! Output variables double precision,intent(out) :: Ex ! Select correlation functional select case (DFA) case ('US51') call US51_lda_exchange_energy(nGrid,weight,rho,Ex) case ('RS51') call RS51_lda_exchange_energy(nGrid,weight,rho,Ex) case ('RMFL20') call RMFL20_lda_exchange_energy(LDA_centered,nEns,wEns,nGrid,weight,rho,Ex) case ('RCC') call RCC_lda_exchange_energy(nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,Ex) case ('UCC') call UCC_lda_exchange_energy(nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,Ex) case default call print_warning('!!! LDA exchange functional not available !!!') stop end select end subroutine lda_exchange_energy