[Wien] problem with eece

[tran at theochem.tuwien.ac.at]

Hi,

For the DOS calculation it is without -eece option:
x lapw2 -up -so -qtl

F. Tran

On Fri, 29 Aug 2014, Hemza Kouarta 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.
> 
> 
>