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

L. D. Marks L-marks at northwestern.edu
Wed Apr 12 19:31:16 CEST 2006


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
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email: L-marks at northwestern dot edu
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