[molpro-user] (no subject)

[Kirk Peterson]

What version of Molpro are you using?  Your braces are in very strange positions.

In any event your ccsd(t) line should look something like    ccsd(t);maxit,80

-Kirk

On Oct 12, 2010, at 7:19 AM, Daniel Rogers wrote:

> Dear Molpro-users, I would like to run a ccsd(T) but i need to increase the number of iterations which is still set at the default of 40. the following is my input card
> 
> 
> geomtyp=xyz
> geometry={
> 3
> 
> C   0.0   0.0   x
> C   0.0   0.0   x
> Li   0.0   0.0   x
> }
> {basis=x
> hf
> 
> ccsd(t);
> core, 3;
> occ, 7;}
> 
> i am aware that the input 'maxit' should be inserted but i'm not sure where, would appreciate a swift reply
> 
> thanks in advance
> 
> daniel rogers
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