[Pw_forum] convergence

[Axel Kohlmeyer]

On Fri, Oct 21, 2011 at 3:24 PM, Stefano Baroni <baroni at sissa.it> wrote:
> a word file to transmit a QE input?
> oh my goodness!

it is the best way to shoot yourself in the foot!

this way it is guaranteed that nobody will look at it. ;)

ciao,
    axel.

> SB
> On Oct 21, 2011, at 8:09 PM, bhabya sahoo wrote:
>
> i have used the espresso file which is given
> i want to convergence it but it is not converging
> after many itteration
> also i have incresed nstep and eletron step to high nothing results
>
> the input file is the input file for uspex code
> where kpoints and positions are written by itself
>
>
> the eroor is that
> force convergence is not achived
>
> the file is given
>
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> b d sahoo
> reserch scholar
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> ---
> Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
> http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni
> (skype)
> La morale est une logique de l'action comme la logique est une morale de la
> pensée - Jean Piaget
>
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-- 
Dr. Axel Kohlmeyer
akohlmey at gmail.com  http://goo.gl/1wk0

Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.