mixed CDFT - different constraints
Markus Jech
jechm... at gmail.com
Wed Feb 14 21:52:38 UTC 2018
Hi,
I am new to CDFT calculations. I have a question regarding the interaction
of two CDFT states. Is is possible to use CDFT states with two different
constraints (e.g. Becke constraints applied on atom group A and B) as an
input for mixed CDFT calculations? To be more specific, I want to calculate
the coupling between a bulk state and a localized (defect) state.
BR,
Markus
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