[Wien] LOPW error

Laurence Marks L-marks at northwestern.edu
Wed May 1 15:02:59 CEST 2013


Try increasing RKMAX.

There is a patch being tested which Peter Blaha has developed -- he
will respond if increasing RKMAX does not work for you.

On Wed, May 1, 2013 at 2:58 AM, Hajar Nejati <hajar.nejatipoor at yahoo.com> wrote:
> dear dr. Blaha and  wien2k users
> I have maked a graphane structure with atom by atom positions in unit cell
> (for core hole approximate).
> when I run scf, this error appears:
>
> **  Error in Parallel LAPW1
> Error in LAPW1
>  'LOPW' - Plane waves exhausted
> Error in LAPW1
>  'LOPW' - Plane waves exhausted
> Error in LAPW1
>  'LOPW' - Plane waves exhausted
>
> what is its means? what is wrong?
>



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi


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