| 1:13:32 PM PDT - Mon, Apr 8th 2013 |
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Hi Jia,
Thanks for reporting the problem. I have found that the dispersion corrections were not implemented in the code that implements the CGMIN option. I have checked a fix in for that problem now and this functionality will be available in the next release. In the meantime I think I can provide a patch, if desired. For that I will need to know what version of NWChem you are running. If you can send that information to my email address at: Hubertus DOT vanDam AT pnnl DOT gov I can send a patch out to you.
Best wishes,
Huub
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