[Wien] 'LOPW' - Plane waves exhausted

[Laurence Marks]

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.
>
>
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-- 
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.