[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
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
More information about the Molpro-user
mailing list