[molpro-user] max iteration in molpro

[Kirk Peterson]

Try   maxit,30

regards,

-Kirk

> On Sep 28, 2015, at 1:38 AM, Jyotirmoy Ray <jyotirmoy001ray at gmail.com> wrote:
> 
> 
> 
> Hello, 
>     Can anyone please tell me how to increase number of iteration in molpro for doing CASPT2 calculation.
> 
> 
> Thanking you
> Mr. Jyotirmoy Ray
> Int. PhD. student
> SGR's lab
> Inorganic & Physical Chemistry Unit
> Indian Institute of Science, Bangalore
> Pin-560 012
> Mobile No. : 9902235995 <tel:9902235995>
> 
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