hello I have a calculation of a semiconductor I-III-VI nonmagnetic, but the system will stop? in the third scf cycle stages the??in? lapw2 it displays error in lapw2 note: the scf cycle 1 and 2 normal ending thank you in advance -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120604/5f74c662/attachment.htm>
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