[Pw_forum] Convergence not achieved after 100 iterations

stefano de gironcoli degironc at sissa.it
Fri Nov 8 13:13:22 CET 2013


repeating a question that has been already answered is not going to get 
you a better answer
most likely no answer at all
best
stefano

On 11/07/2013 08:40 PM, Chukwuemeka Okoye wrote:
> Dear All,
>
> I ran an 'scf ' calculation that did not converge after 100 iterations.
> Perhaps this is the maximum number allowed in the code.
>  Please how do I make it to run over more than 100 iteration?.
>
> Thanks
>
> Chukwuemeka Okoye
> =========
>
>
> Chukwuemeka M I Okoye
> Department of Physics and Astronomy,
> University of Nigeria,
> Nsukka.
> Enugu State,
> NIGERIA.
> Phone: +234-7038766990
> +234-8053310658
> E-mail: okoyecmi at yahoo.com, cmi.okoye at unn.edu.ng
>
>
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> Pw_forum mailing list
> Pw_forum at pwscf.org
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