[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
>
> ------------------------------------------------------------------------
> Do you Yahoo!?
> Win a $20,000 Career Makeover at Yahoo! HotJobs
> <http://pa.yahoo.com/*http://us.rd.yahoo.com/hotjobs/hotjobs_mail_signature_footer_textlink/evt=23983/*http://hotjobs.sweepstakes.yahoo.com/careermakeover>
>
--
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/
More information about the Wien
mailing list