Problem with cation ccsd calculation

Arfon Smith pcxams at nottingham.ac.uk
Wed Apr 23 10:09:37 BST 2003


Hello

I am trying to run a ccsd calculation of Na+, my input is;

ccsd(t);wf,10,1,0

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.

Cheers

Arfon




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