[CP2K-user] [CP2K:20526] creating a mixed van der Waals damping scheme

[Andrey Poletayev]

Hello! 
This may be a dumb question coming from a beginner user. I am looking to 
use CP2K for training ML potentials for water. I found this recent work on 
chemRxiv combing through functionals (although they used VASP) 
: https://chemrxiv.org/engage/chemrxiv/article-details/66616c4e21291e5d1d301165 

They argue that the best behavior of simulated water is achieved with about 
50% of Becke-Johnson damping with revPBE0+D3. There are two options - 
either compute every frame twice (zero damping and B-J) and average, or 
make up a halfway damping. Is it possible / straightforward to create such 
a halfway damping? 

Thank you,
-Andrey

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