[molpro-user] MULTI maxiter

[Andy May]

Tim,

Please could you post the full input?

Thanks,

Andy

On 23/03/10 14:16, Tim Wright wrote:
> Hi,
> I want change the maximum number of iterations in the MULTI code as the
> calculation I am running is nicely converging, but not converged after
> 40 cycles. I have specified maxiter=100, but the program does not appear
> to want to go past 40. It is a little frustrating, as it is clearly
> converging!
> 
> Any hints? (I have tried Maxit and Maxiter).
> 
> 
> {multi;
>  closed,2;
>  occ,11;
>  wf,13,1,1; state,4;
>  canonical,ci;
>  maxiter,100}
> 
> 
> 
> Thanks,
> Tim
> 
> __________________________________________
> Timothy G. Wright
> Professor of Physical and Theoretical Chemistry,
> School of Chemistry,
> University Park,
> University of Nottingham,
> NG7 2RD
> UK
> +44 115 84 67076
> Tim.Wright at nottingham.ac.uk
> www.nottingham.ac.uk/~pczsocar  
> 
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