[molpro-user] MEP calculations - basic questions
Borys Szefczyk
szefczyk at cartman.ch.pwr.wroc.pl
Thu May 19 08:22:16 BST 2011
Dear Molpro Users,
I am trying to do some MEP calculations in Molpro,
but I am a bit lost. Can anybody provide me with a working
example of a MEP input file? The manual contains no more
than a short description of the two related options of
SLAPAF and a reference to MOLCAS manual.
I need something simple to start with.
Thanks in advance,
Borys Szefczyk
--
Molecular Modelling & Quantum Chemistry Group,
Institute of Physical & Theoretical Chemistry,
Wroclaw University of Technology
http://ichfit.ch.pwr.wroc.pl/people/szefczyk
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