Respected Sir, ?while running optimization? for Cscl Phase of CdO at a=2.5828 i have faced a problem 'FERMI' - EFERMI OUT OF ENERGY RANGE ?'FERMI' - STOP IN EFI ?'FERMI' - ENERGY OF LOWER BOUND???????????????? :? -2.18993????????????????? ?'FERMI' - NUMBER OF STATES AT THE LOWER BOUND?? :?? 0.00000????????????????? ?'FERMI' - ENERGY OF UPPER BOUND???????????????? :?? 3.00519????????????????? ?'FERMI' - NUMBER OF STATES AT THE UPPER BOUND?? :?? 8.00000????????????????? ?'FERMI' - ADD??? 8.00000???????????????????????????????????????????????????? ?'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.0000.0500.0001.081???????????? ?'FERMI' - NOS ************************************************** please give me a suitable solution for this,that? what i have to do.
Thank you so much. Pooja Rana Research Scholar Condensed Matter Theory Group School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA Now, send attachments up to 25MB with Yahoo! India Mail. Learn how. http://in.overview.mail.yahoo.com/photos -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091005/f117105a/attachment.htm>