Respected Prof. Blaha and dear Wien2k users, The structure of supercell has been generated successfully but their is problem to visualise the position of the doped atom using X-crysden. The dopent is not appeared in the structre and X- crysden windows shows the same structure as for pure compound.
Please suggest how to resolve the problem and to get the dopent position. Pooja Rana -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110613/cfe2fc21/attachment.htm>
