[Wien] WARNING: RKmax reduced due to NMATMAX ???

[L. D. Marks]

NMATMAX is a hard limit during compilation, which you can change from 
siteconfig; it's reasonably well documented in the User Guide and when 
you run siteconfig.

On Wed, 12 Apr 2006, Benali Ben wrote:

> Dear users,
> I work with a supercell,
> when I traced the band structure, I noticed that the Fermi level found on the conduction band minimum.
>  when I looked at file SCF, I saw this : WARN :      WARNING: RKmax reduced due to NMATMAX
> and :
> :ENE  : *WARNING** TOTAL ENERGY IN Ry =   -43416.445556
>
> thank you for your advice
>
>
>
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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