[Wien] Plane waves exhausted

[Torsten Andersen]

Dear Michael,

maybe you should increase NMATMAX? I would suspect that if you run out 
of planewaves before your atomic orbitals are all connected, the "usual" 
cutoff function that applies when NMATMAX is too small no longer works.

I do not know if this works, but otherwise I need more information, such 
as your dayfile and the lapw1_1.error etc. files, not just the central one.

Cheers,
Torsten Andersen.

Michael Gurnett wrote:
> This would be strange since it works fine if I use the "built in" 
> k-paths that Wien has.
>  
>  
> 
>     ----- Original Message -----
>     *From:* saeid jalali <mailto:s_jalali_a at yahoo.com>
>     *To:* wien at zeus.theochem.tuwien.ac.at
>     <mailto:wien at zeus.theochem.tuwien.ac.at>
>     *Sent:* Monday, February 07, 2005 1:50 PM
>     *Subject:* Re: [Wien] Plane waves exhausted
> 
>     The " 'LOPW' - Plane waves exhausted" error appears when either the
>     Rmt*Kmax parameter is small or the structure file is not correct,
>     e.g it contains one atom twice.
> 
> 
>     */Michael Gurnett <michael.gurnett at kau.se
>     <mailto:michael.gurnett at kau.se>>/* wrote:
> 
>         I'm getting the following error when trying to run bandstructure
> 
> 
>         ** Error in Parallel LAPW1
>         ** LAPW1 STOPPED at Mon Feb 7 11:32:55 CET 2005
>         ** check ERROR FILES!
>         'LOPW' - Plane waves exhausted
>         'LOPW' - Plane waves exhausted
>         'LOPW' - Plane waves exhausted
>         'LOPW' - Plane waves exhausted
>         'LOPW' - Plane waves exhausted
>         'LOPW' - Plane waves exhausted
> 
> 
>         I'm using Xcrysden to generate the k path. What is causing this
>         and how do I
>         fix it.
> 
>         Thanks
> 
>         Michael
> 
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/

Symposium on Excited-state properties of solids, Mannheim 2005:
See: http://cmt.physik.uni-kl.de/XSM05/