subroutine unrestricted_lda_correlation_individual_energy(DFA,LDA_centered,nEns,wEns,nGrid,weight,rhow,rho,Ec) ! Compute LDA correlation energy for individual states 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) double precision,intent(in) :: rhow(nGrid,nspin) double precision,intent(in) :: rho(nGrid,nspin) ! Output variables double precision :: Ec(nsp) ! Select correlation functional select case (DFA) ! Vosko, Wilk and Nusair's functional V: Can. J. Phys. 58 (1980) 1200 case ('VWN3') call UVWN3_lda_correlation_individual_energy(nGrid,weight,rhow,rho,Ec) case ('VWN5') call UVWN5_lda_correlation_individual_energy(nGrid,weight,rhow,rho,Ec) case default call print_warning('!!! LDA correlation functional not available !!!') stop end select end subroutine unrestricted_lda_correlation_individual_energy