Dear Wien users, ??????????????????????? I am doing spin-orbit calculations, after converged calculations, I run x lapwdm -so -c -up
this by changing r-index and l,s-index to 1 3 in case.indmc , However, I get the case.scfdmup? with only the XOPXXX? values, which I can not figure out what do they mean exactly,? the ORBXXX values are not written in this file, that without having any error messages. So can someone tell me whay is it the case, and what do these XOP values refer to please. Best regards Bothina -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091030/21aa2c57/attachment.htm>