[molpro-user] Problem in eom calcuation
tania at tiger.chem.uw.edu.pl
Wed Aug 5 14:41:45 BST 2015
I do not see anything suspicious, too. Maybe your job was killed because it
exceeded some queue limits (e.g. maximum cpu time) or maybe the scratch disk
used for this job was unavailable for some time.
On Wed, 5 Aug 2015, behnam nikoobakht wrote:
> Dear molpro users,
> I want to calcuate the energy of the excited states for Fenchon molecue using eom method.As you can see in the output file, the calcuation was stopped after starting eom calculation
> without any reason. Does anybody have any ideas in this case?
> Thank you very much in advance for your help,Bhenma
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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