[Pw_forum] vc-relax

[Cyrille Barreteau]

Dear Mohaddeseh

Well, just read the message: It just means that the convergence 
criterion has not been
reached after 100 steps... You can increase the number of step (nstep) 
or be less stringent on
the convergence. How small are your forces and stress?

cyrille

mohaddeseh abbasnejad wrote:

> Dear all,
>
> I was trying to do "vc-relax" for an orthorhombic unit cell consisting 
> of 24 ions.
> I also put "nosym=.true.".
> At the end, I received this error:
>
> " End of self-consistent calculation
>  convergence NOT achieved after 100 iterations: stopping "
>
> Would you please help me?
>
> Yours,
> Mohaddeseh
>
>
> -- 
>
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