NBO analysis using CASPT2 electron density from BAGEL?

qsimulate-open / bagel

Brilliantly Advanced General Electronic-structure Library

GNU General Public License v3.0

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Open EvGeGr opened 3 months ago

EvGeGr commented 3 months ago

Hello,

I wonder if it is possible (someone tried) to use CASPT2 electron density from BAGEL in the NBO analysis?

Kind regards, Evgeniy