[molpro-user] problem with runnig MRCI

Stanislav Záliš stanislav.zalis at jh-inst.cas.cz
Fri Oct 13 09:30:06 BST 2006

Dear Seth and Peter,
Thank you for help. I did not realize that closed orbitals in MRCI form
also active space. Now I use the core card in order to restrict the active
space in MRCI which works OK.


Stanislav Záliš
J. Heyrovsky Institute of Physical Chemistry
Academy of Sciences of Czech Republic
Dolejskova 3
182 23 Prague 8
Czech Republic

Phone: 04202 6605 3268
Fax: 04202 8658 2307

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