Problem with cation ccsd calculation
tania at tiger.chem.uw.edu.pl
Wed Apr 23 12:23:12 BST 2003
On Wed, 23 Apr 2003, Arfon Smith wrote:
> I am trying to run a ccsd calculation of Na+, my input is;
> After a successful scf calculation the following error is produced
> "INPUT ERROR ON PAIRS CARD"
> I am using MOLPRO 2002.1
> Any help would be greatly appreciated.
Just add "core,0" after ccsd(t).
Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/kwanty/staff/tania/tania_en.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND
`The man who makes no mistakes does not usually make anything.'
Edward John Phelps (1822-1900)
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