1. Center for Atomic-scale Materials Design (CAMD), Department of Physics, Technical University of Denmark,DK -2800 Kgs. Lyngby, Denmark.
2. Department of Applied Physics, Chalmers University of Technology, SE ­41296 Göteborg, Sweden.

The van der Waals Density Functional (vdW-DF)¹ has recently been implemented in the GPAW² software, as recently proposed by Perez and Soler³ . This has made Self-Consistent vdW-DF calculations possible for systems such as benzene and graphene adsorption on various metal surfaces. A self-consistent vdW-DF cal­culation turns out to take around 80 percent more time than a self-consistent GGA calculation with roughly the same amount of density iterations. We have applied the vdW-DF functional to bulk metals and we have found that it sig­ni?cantly overestimates lattice parameters, in particular for transition and noble metals, compared to the revPBE results. This turns out not to be a problem re­lated to self-consistency but is believed to be due to the mix of LDA correlation and revPBE exchange in the vdW-DF. We have also analyzed the adsorption on graphene and benzene on di?erent (111) metal surfaces and we discuss the results in comparison with traditional LDA and GGA calculations.

¹M Dion, H. Rydberg, E. Schröder, D.C Langreth and B.I Lundqvist, Phys. Rev. Lett. 92 246401 (2004)
²J. J. Mortensen, L. B Hansen, and K. W. Jacobsen, Phys. Rev. B 71, 035109 (2005)
³G.R. Perez, J.M Soler, Phys. Rev. Lett. 103 096102 (2009)