diff --git a/optional/atom2.f90 b/optional/atom2.f90 index d0dee52eac2c628e775fbba82972ad88bbf64ec7..18a7d129c159aef521ba1446567ad8bd97edbab2 100644 --- a/optional/atom2.f90 +++ b/optional/atom2.f90 @@ -217,7 +217,7 @@ CONTAINS rhoss(i, ispin) = rhoss(i, ispin)/(fpi_const*rad(i)**2) ENDDO ENDDO - IF (xcpot%is_gga()) THEN + IF (xcpot%needs_grad()) THEN CALL potl0(xcpot, input%jspins, atoms%dx(ntyp), rad, rhoss, vxc) ELSE CALL xcpot%get_vxc(input%jspins, rhoss, vxc, vx)