When i calculated the ZnO doped with Fe,i found that it can not convergence,can you show me the reason? Thank you very much!! -- Search for products and services at: http://search.mail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20061114/11c6d81c/attachment-0001.html