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
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