[molpro-user] CCSD problem

Tatiana Korona tania at tiger.chem.uw.edu.pl
Fri Jul 17 10:48:56 BST 2015

Dear Behnam,

This does not work this way. You need to calculate CCSD for the ground state and 
then EOM-CCSD for excited states, see the manual.

Best wishes,


On Thu, 16 Jul 2015, behnam nikoobakht wrote:

> Dear molpro user,
> I am trying to cacluate the four lowest excited energies of the fenchon molecule using CCSD.I attached the output files. Please let me know if you have any idea for fixing the problem.
> Best regards,Behnam

Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory, University of Warsaw, Pasteura 1, PL-02-093 Warsaw, POLAND

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