Please check your custom klist. When the invalid or wrongly-formatted case.klist exists, the error can be occurred.
2011/2/22 Laurence Marks <L-marks at northwestern.edu> > It is very hard to know exactly what you have done wrong, or it could > be something special to your problem. Do you have d and f states in > the valence region? You might need to increase RKMAX. > > 2011/2/21 Volodymyr Svitlyk <svitlyk at esrf.fr>: > > Hi all, > > > > I have tried to use my custom klist. I have copied my klist into the > > directory, set TEMP as a Fermi-method with eval = 0.002, then I just > skipped > > the kgen command during the initialize calc. At the lapw1 I got the > error > > "'LOPW' - Plane waves exhausted." > > > > I guess something is wrong in the way I feed the klist? > > Thank you. > > > > > > _______________________________________________ > > Wien mailing list > > Wien at zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > > > > > -- > Laurence Marks > Department of Materials Science and Engineering > MSE Rm 2036 Cook Hall > 2220 N Campus Drive > Northwestern University > Evanston, IL 60208, USA > Tel: (847) 491-3996 Fax: (847) 491-7820 > email: L-marks at northwestern dot edu > Web: www.numis.northwestern.edu > Chair, Commission on Electron Crystallography of IUCR > www.numis.northwestern.edu/ > Electron crystallography is the branch of science that uses electron > scattering and imaging to study the structure of matter. > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Min Wook OH, Ph. D., Korea Electrotechnology Research Institute (KERI) Tel: 82-55-280-1638 Fax: 82-55-280-1590 E-mail: minwookoh at keri.re.kr -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110223/9553dd02/attachment.htm>