From NWChem
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Just Got Here
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Posts 4
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| 10:52:06 PM PDT - Sat, Aug 31st 2013 |
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I'm still having some issues, but I have been able to get some smaller jobs to complete.
I don't quite understand the output. I'm trying to calculate the CBS extrapolated interaction energy. I noticed that in my current input file, the interaction energy is not given. In molpro I'd usually use the "dummy" command (to get the BSSE corrected interaction energy), but I'm not sure how to do this in nwchem. Please advise.
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