[molpro-user] Unconverged CI in RS2C - increase iterations?

[Dr Seth OLSEN]

Hi Molpro-users,

A recent RS2C calculation ended with the warning:

?CI HAS NOT CONVERGED IN MAX ITERATIONS

I can't find the keyword to increase the iterations in the 'Multireference RS Pertubation theory' section of the manual.  Is it somewhere else?  Can someone tell me the directive  to use?

Cheers,

Seth Olsen

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Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 

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