[Pw_forum] ion relaxation

[Gabriele Sclauzero]

Dear Mohaddeseh,

    first read here

http://www.quantum-espresso.org/wiki/index.php/Frequently_Asked_Questions#Self-consistency_is_slow_or_does_not_converge_at_all

and related questions. Then, if you cannot still figure out anything you can write again.

Gabriele

mohaddeseh abbasnejad wrote:
> Dear all,
>  
> After doing ion relaxation for Si, I received such an error and the 
> program stopped:
> "convergence NOT achieved after 100 iterations: stopping"
> Would you please help me?
> Thanks in advance.
>  
> Yours,
> Mohaddeseh
> 
> -- 
> ---------------------------------------------------------
> 
> Mohaddeseh Abbasnejad,
> Room No. 323, Department of Physics,
> University of Tehran, North Karegar Ave.,
> Tehran, P.O. Box: 14395-547- IRAN
> Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781
> Cellphone: +989177317514
> E-Mail:     m.abbasnejad at gmail.com <mailto:m.abbasnejad at gmail.com>
> Website:  http://physics.ut.ac.ir
> 
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| Gabriele Sclauzero, PhD Student                  |
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