subroutine gga_exchange_potential(DFA,nEns,wEns,nCC,aCC,nGrid,weight,nBas,AO,dAO,& rho,drho,Cx_choice,Fx) ! Select GGA exchange functional for potential 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) integer,intent(in) :: nBas double precision,intent(in) :: AO(nBas,nGrid) double precision,intent(in) :: dAO(3,nBas,nGrid) double precision,intent(in) :: rho(nGrid) double precision,intent(in) :: drho(3,nGrid) integer,intent(in) :: Cx_choice ! Output variables double precision,intent(out) :: Fx(nBas,nBas) ! Select GGA exchange functional select case (DFA) case (1) call G96_gga_exchange_potential(nGrid,weight,nBas,AO,dAO,rho,drho,Fx) case (2) call B88_gga_exchange_potential(nGrid,weight,nBas,AO,dAO,rho,drho,Fx) case (3) call PBE_gga_exchange_potential(nGrid,weight,nBas,AO,dAO,rho,drho,Fx) case (4) call CC_B88_gga_exchange_potential(nEns,wEns,nCC,aCC,nGrid,weight,nBas,AO,dAO,rho,drho,& Cx_choice,Fx) case default call print_warning('!!! GGA exchange potential not available !!!') stop end select end subroutine gga_exchange_potential