[molpro-user] The number of iterations for ccsd

[Tatiana Korona]

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)