[Wien] problem with eece

Kevin Jorissen kevinjorissenpdx at gmail.com
Fri Aug 29 04:04:01 CEST 2014


mistake in your input?


On Thu, Aug 28, 2014 at 5:28 PM, Hemza Kouarta <hemzakouarta.phy at gmail.com>
wrote:

> Hi,
>
> i use HF function on the 3d metal (Fe) intercalated in NbSe2 ,my
> calculation is fine and converged,but when i do :
>
> " x lapw2 -up -so -eece -qtl "   to calculate dos ,they give me this error
> :
>
>
>  WARNING: EF not accurate, new emin,emax,NE-min,NE-max
> -2.96097358895238
>   -2.96097358242661        87.9999969931765        88.0000074270098
>  LAPW2 END
> 106.7u 4.6s 1:51.69 99.6% 0+0k 56+69824io 0pf+0w
>
>
> And when i draw the dos there is no EF in my dos.
>
> Any suggestions will help.
>
> thank-you.
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140828/a5ac42c8/attachment.htm>


More information about the Wien mailing list