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

Evgeniy Gromov evgeniy.gromov at pci.uni-heidelberg.de
Mon Jun 26 19:33:16 CEST 2017


I wonder how to increase the number of iterations in CIS calculations.
(eompar,maxiter doesn't seem to have any effect here).

Best regards,

Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg

Telefon: +49/(0)6221/545213
Fax: +49/(0)6221/545221
E-mail: evgeniy.gromov at pci.uni-heidelberg.de

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