- Thanks very much pr.tran when I runsp_lapw with antiferromagnetic PrO2 . I take all oxygen atoms the spin up and dn the calculation when run I not found any error -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121116/149f2aa0/attachment.htm>