max iter in uccsd(t) calculations

Kelly Higgins higgins at otto.harvard.edu
Tue Mar 7 18:44:56 GMT 2000


You can use the maxiter,N option where N is the maximum number of
iterations to use:

rhf
uccsd(t)
maxiter,50

to use a maximum of 50 iterations.

On Tue, 7 Mar 2000, Lawrence Harding wrote:

> 
>  Does anyone know how to increase the maximum number of allowed
> iterations in a uccsd(t) calculation ?
> 
> 
> 
> 




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