Running COSMO on NWChem, gathering energies for reaction coordinates

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Forum Vet

2:00:34 PM PDT - Mon, Mar 18th 2013
Test case converges with NWChem 6.1.1
I just ran your test case input unmodified with NWChem 6.1.1 and it completes successfully. So, I'm confused as to why you are having the problems you have. Are these clean runs (i.e. there are not left over files in scratch, etc.)?