From NWChem
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| 1:59:20 PM PST - Fri, Dec 23rd 2011 |
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Not seeing Lowdin charges
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Bert,
I tried adding "mulliken" in both a separate properties section, and in the dft block as you suggested; however, I'm not seeing anything labeled as "Lowdin" or anything else that would suggest an alternative charge model. What should I be looking for? NWChem 6.0 on Hopper @ NERSC.
Thanks,
Chris
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