[Wien] 'LOPW' - Plane waves exhausted

[Min Wook OH]

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.
> >
> >
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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.
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-- 
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
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