[molpro-user] The number of iterations for ccsd

[Li, Jun]

This should work:

 ccsd;maxiter,100;

Jun Li


-----Original Message-----
From: owner-molpro-user at molpro.chem.cf.ac.uk
[mailto:owner-molpro-user at molpro.chem.cf.ac.uk] On Behalf Of Tatiana
Korona
Sent: Wednesday, September 14, 2005 6:38 AM
To: Evgeniy Gromov
Cc: molpro-user at molpro.net
Subject: Re: [molpro-user] The number of iterations for ccsd

On Wed, 14 Sep 2005, Evgeniy Gromov wrote:

> Dear Molpro Users,
>
> I would very appreciate if someone could tell me how to increase the 
> number of iterations for ccsd. I wonder whether such an option does 
> exist at all.
>

Just write


ccsd
maxit,100


Best wishes,

Tatiana


Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND

`The man who makes no mistakes does not usually make anything.'
                                        Edward John Phelps (1822-1900)