I managed to reduce my structure. I can start the calculation. No longer appears ghost bands. But is running indefinitely LAPW2C.
Em 02/04/2012 16:28, Laurence Marks escreveu: > Did you redo the initialisation, you have to. > > --------------------------- > Professor Laurence Marks > Department of Materials Science and Engineering > Northwestern University > www.numis.northwestern.edu [3] 1-847-491-3996 > "Research is to see what everybody else has seen, and to think what nobody else has thought" > Albert Szent-Gyorgi > On Apr 2, 2012 1:19 PM, "Antonio Vanderlei dos Santos - Fisica" <vandao at urisan.tche.br [4]> wrote: > >> Dear users >> >> I modifications and decreases the structure, but now the seurge sequinte error. >> >> Error in LAPW1 >> 'SELECT' - no energy limits found for L= 1 >> 'SELECT' - E-bottom -17.57300 E-top -200.00000 >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at [1] >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien [2] Links: ------ [1] mailto:Wien at zeus.theochem.tuwien.ac.at [2] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien [3] http://www.numis.northwestern.edu [4] mailto:vandao at urisan.tche.br -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120402/b93fa124/attachment.htm>