Hello All,I'm calculating UO2 doping in the interstitial site with Ne atom with SO coupling by Wien2k_08. When I run initso_lapw, it can't pass in a right way. The step x symmetso is wrong. Could you tell me how to solve it? Thank you.Best,Li -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101021/31d4b136/attachment.htm>
