[Wien] problem with Onsite-exact-exchange.

[tran at theochem.tuwien.ac.at]

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2014-August/021555.html

On Sat, 30 Aug 2014, Hemza Kouarta wrote:

>  Hi,
> I have done a calculation using Onsite-exact-exchange (-eece) only on the 3d of iron (in material : Fe1/4NbSe2) with soc .
> My calculation is converged and give a good result ,but when try to analyse the dos with :
> 
>  " x lapw2 -up -so -eece -qtl "
> 
> I have this error :
> 
> WARNING: EF not accurate, new emin,emax,NE-min,NE-max  -2.96097358895238    
>   -2.96097358242661        87.9999969931765        88.0000074270098    
>  LAPW2 END
> 
> Any suggestion will help soon as possible ,and thank-you.
> 
>