[Pw_forum] Number of iterations

[Eyvaz Isaev]

Hi,

Try nstep=100 in &control section

Bests,
Eyvaz.

--- "H.S.Domingos" <hsd22 at hermes.cam.ac.uk> wrote:

> Dear All,
> 
> could you please tell me how to change the maximum
> number of iterations 
> that vc-relax will do.
> 
> at line :
> 
> Entering Dynamics;  it = ...
> 
> I am getting allways 50 iterations. How can I change
> that ?
> 
> Thank you very much in advance,
> 
> Helder
> 
> 
>
=======================================================================
> |  Dr. Helder S. Domingos                           
>                  |
> |                                                   
>                  |
> | INESC Microsyst & Nanotechnol, Lisbon, P-1000
> Portugal              |
> | and                                               
>                  |
> | R&D unit for  Molecular Chemical Physics          
>                  |
> | Chemistry Department, University of Coimbra       
>                  |
>
=======================================================================
> 
> 
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