[molpro-user] ZERO POINT ENERGY

Martin Spenke martinspenke at yahoo.de
Tue Dec 30 07:03:49 GMT 2014


Dear all, 
Is it with molpro possible to calculate PES with the inclusion of zero point motion corrections to the energy points of the surface at mrci level?If yes, what is the keyword for this ?
BestsMartin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20141230/f4ba031c/attachment.html>


More information about the Molpro-user mailing list