Dear Prof. Blaha and Wien2k users, I have done some calculation for La containing compounds with out including 4f state. Now I want to do the same with including 4f state in the calculation. So how can I include the 4f state, such that it will consider in the calculation. And from which file I will get this information about the basis set and the size of the hamiltonian of my system. So, please help me in this point.
-- Swetarekha Ram, -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110914/68b006cc/attachment.htm>
