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.