CCSD iterations does not converge
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12:59:44 PM PDT - Fri, Jul 5th 2013
Quote:Jhammond
Jul 5th 12:49 pm
Please post your input file and I'll try to figure it out. This may be a pathological case though.
Do you think that 5e-6 is to sloppy of convergence for this problem btw?
Sorry that was a wrong click, my internet browser is really stupid...
Please delete the previous post and I will paste my input in a better way..
Thanks
SR