subroutine unrestricted_lda_exchange_individual_energy(DFA,LDA_centered,nEns,wEns,nCC,aCC,nGrid,weight,rhow,& Cx_choice,doNcentered,Ex) ! Compute LDA exchange energy for individual states implicit none include 'parameters.h' ! Input variables logical,intent(in) :: LDA_centered integer,intent(in) :: DFA integer,intent(in) :: nEns double precision,intent(in) :: wEns(nEns) integer,intent(in) :: nCC double precision,intent(in) :: aCC(nCC,nEns-1) integer,intent(in) :: nGrid double precision,intent(in) :: weight(nGrid) double precision,intent(in) :: rhow(nGrid) integer,intent(in) :: Cx_choice logical,intent(in) :: doNcentered ! Output variables double precision :: Ex ! Select correlation functional select case (DFA) case (1) call US51_lda_exchange_individual_energy(nGrid,weight,rhow,Ex) case (2) call UCC_lda_exchange_individual_energy(nEns,wEns,nCC,aCC,nGrid,weight,rhow, & Cx_choice,doNcentered,Ex) case default call print_warning('!!! LDA exchange individual energy not available !!!') stop end select end subroutine unrestricted_lda_exchange_individual_energy