[Pw_forum] convergence

[Stefano Baroni]

a word file to transmit a QE input? 
oh my goodness!
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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