[Wien] Lapw2 with large number of k-points

Torsten Andersen thor at physik.uni-kl.de
Tue Apr 27 16:08:10 CEST 2004


Dear Mr. Okoye,

are you using Wien97? Otherwise this should not happen. Call the 
"siteconfig" script, change NKPT, and recompile.

Best regards,
Torsten Andersen.

Chukwuemeka Okoye wrote:
> Dear WIEN users,
>  
> I am calculating the optical properties of some materials. I am using up 
> to 10,000 k-points in the IBZ. I get the message
> "STOP FERMI - Error statement executed"
> at  lapw2
> On inspecting uplapw2.error, I found
> "FERMI"  -  NUMBER OF K-POINTS  .GT. NKPT = 2000"
>  
> Please could you suggest how to get over this difficulty.
>  
> Thanks in advance
>  
> Emeka
>  
> 
> 
> Chukwuemeka M. I. Okoye,
> 
> Department of Physics and Astronomy,
> 
> University of Nigeria,Nsukka,
> 
> Enugu State,NIGERIA
> 
> 234-042-771611
> 
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-- 
Dr. Torsten Andersen                     TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/         http://www.physik.uni-kl.de/ 





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