Dear Prof Blaha and Wien2k users, i am working on rhombohedral system and i want to do some surface calculation. is it possible in wien2k because in user guide they said that "If the target lattice is P, one can add some vacuum in each direction for surface slabs (or chains or isolated molecules) and also add a ?top?-layer (repeat the atoms with z=0 at z=1)". So i want to ask is it possible in wien2k??????? and i f possible then how can i do it?????/ just give me little bit hint about this.
i will be very thankful. Thanks and Reagrds Arqum Hashmi -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120222/1a330aa2/attachment.htm>
