Dear Allcould you please let me know what change we can make to calculated SCF with GGA+U for non magnetic (NM) I found error ERROR: option -orb does not exist ! what is a problem -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150101/a3c0a013/attachment.html>