Problems with CDFT and Becke populations (NWChem 6.6)
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8:42:34 PM PST - Fri, Feb 26th 2016
Becke populations
Buchwj ,
You may use the Cartesian option or an alternative exchange-correlation potential to get your system with Becke populations converged. In both cases NWChem runs fine and without failure report.
Regards
Manfred