subroutine gga_exchange_energy(DFA,nEns,wEns,nCC,aCC,nGrid,weight,rho,drho,Cx_choice,Ex) ! Select GGA exchange functional for energy calculation implicit none include 'parameters.h' ! Input variables 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) :: rho(nGrid) integer,intent(in) :: Cx_choice double precision,intent(in) :: drho(ncart,nGrid) ! Output variables double precision :: Ex select case (DFA) case (1) call G96_gga_exchange_energy(nGrid,weight,rho,drho,Ex) case (2) call B88_gga_exchange_energy(nGrid,weight,rho,drho,Ex) case (3) call PBE_gga_exchange_energy(nGrid,weight,rho,drho,Ex) case (4) call CC_B88_gga_exchange_energy(nEns,wEns,nCC,aCC,nGrid,weight,rho,drho,& Cx_choice,Ex) case default call print_warning('!!! GGA exchange energy not available !!!') stop end select end subroutine gga_exchange_energy