Constrained DFT

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1:13:07 AM PST - Tue, Nov 12th 2013
Dear NWChem users and developers, I would need to perform a constrained DFT calculation on a molecule with an odd number of electrons. Is it possible? Thanks a lot Alessandro

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10:35:01 AM PST - Tue, Nov 12th 2013
Yes, CDFT should work with molecules with an odd number of electrons