[molpro-user] mrcic
Jiri Czernek
czernek at imc.cas.cz
Mon Oct 15 15:14:35 BST 2012
Dear Molpro users:
I'm very sorry if this is FAQ but how exactly do you invoke the new MRCI
code (described in K. R. Shamasundar, G. Knizia, and H.-J. Werner, J.
Chem. Phys. 135, 054101 (2011) and mentioned at
http://www.molpro.net/info/2012.1/doc/quickstart/node23.html) in Version
2012.1? I tried simply changing "mrci" to "mrcic", didn't work. Could
please anyone send me any correct input for the "new" MRCI, thank you!
Greetings from Prague,
Jiri "George" Czernek
More information about the Molpro-user
mailing list