Dear Wien2k community, I perform slab calculations for the graphene single layers separated by ~ 10 A of vacuum. In the bandstructure that comes out one sees a dense bunch of bands ~ 3 eV above the Fermi level which have parabolic behavior at the Gamma point. Supposedly, these bands are the plane-wave states which describe the vast interstitial region.
My question is the following: If this interpretation of the dense bands above the Fermi level as plane-wave states is correct, then these bands should be considered as artifacts of the Wien2k basis set. Can one get rid of them somehow? Thanks! Kateryna Foyevtsova
