*Dear all wien2K Users,* *I hope you are all happy.*
*My question backs to possibility of running Wien2k for structures contain defects, voids or interstitial ions. * *Is it possible to make calculation for such structures?* *As I do remember, at least in the old version of wien2k, it was not possible!* *Noteworthy, I have tried to find the answer among FAQ; but it was unsuccessful.* *I do appreciate for any detailed information.* *Ahmad Gharleghi* -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111124/5505462d/attachment.htm>