Dear Wien2k users, We can do surface calculation by creating one slab separated from the rest of the supercell. My question is can we create more than one slab in a single direction in Wien2k? ....We need slab calculation in which few slabs remain separated along say z direction. Thank you in advance...
Shamik Chakrabarti Research Scholar IIT Kharagpur INDIA -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100131/fd4f7dd9/attachment.htm>