Dear wien2k users,
I have calculated a structure of 66atoms, however, after several decades SCFs, an error was coming in lapw1.error. The detailed error is followed as: ** Error in Parallel LAPW1 ** LAPW1 STOPPED at Fri Jul 5 08:33:04 CST 2013 ** check ERROR FILES! Error in LAPW1 'SELECT' - no energy limits found for L= 2 'SELECT' - E-bottom -200.00000 E-top 0.21269 Error in LAPW1 'SELECT' - no energy limits found for L= 2 'SELECT' - E-bottom -200.00000 E-top 0.21269 Best regards, Tuo Cai -- ▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲ Tuo Cai （Ph.D. candidate 2011） Materials Fatigue and Fracture Division, Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang, 110016, P. R. China Tel: +86-24-83978023 Email: tcai...@imr.ac.cn; tuo...@gmail.com ▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲▲
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
