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[Xavier Gonze <xavier.gonze@uclouvain.be>]

Dear Igor,

Just to be sure ... Are you using ecutsm ?

Xavier

On 16 Feb 2009, at 09:24, ilukacevic@fizika.unios.hr wrote:

> Hi!
>
> I've tried both with iscf=5 in the 1st dataset and with iprcel=45.  
> Both
> succeeded in driving the 2nd dataset through. But iscf=5 gave a better
> converged gs wf (to 10^-11), while iscf=7 still gave wf converged up  
> to 10^-7.
>
> I don't think that ecut 60 is too high. I'm testing the ecut  
> convergence and
> elastic constants do not seem to be converged up so far (i'm trying  
> now ecut
> 70, 80 and 90 with GGA psp). With HGH psps, elastic constant were  
> not converged
> until ecut 80 Ha.
>
> Thank You very much for Your help.
>
> Greets!
>
> Igor Lukacevic