Respected Sir, I am working on lanthanum trihydride (HoH3 type structure).? After defining and initializing the structure, during SCF run it reports an error as :
LAPW0 END SPHBES - Error > stop error Kindly help me how to remove this error. Regargs and thanks, Subhra Kulshrestha Senior Research Fellow(CSIR) Condensed Matter Theory Group School of Studies in Physics, Jiwaji University Gwalior 474011? (M.P.) INDIA Connect more, do more and share more with Yahoo! India Mail. Learn more. http://in.overview.mail.yahoo.com/ -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090926/05342727/attachment.htm>