[molpro-user] Increasing number of iterations in CIS calculations

[Tatiana Korona]

Try

MAXITCIS=xxx for the CIS keyword.

(BTW. Tests are running for your previous question).

Best wishes,

Tatiana

On Mon, 26 Jun 2017, Evgeniy Gromov wrote:

> Hello,
>
> I wonder how to increase the number of iterations in CIS calculations.
> (eompar,maxiter doesn't seem to have any effect here).
>
> Best regards,
> Evgeniy
>
> -- 
> Dr. Evgeniy Gromov
> Theoretische Chemie
> Physikalisch-Chemisches Institut
> Im Neuenheimer Feld 229
> D-69120 Heidelberg
> Germany
>
> Telefon: +49/(0)6221/545213
> Fax: +49/(0)6221/545221
> E-mail: evgeniy.gromov at pci.uni-heidelberg.de
>
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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