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Well-Tempered Metadynamics
Posted: Tue Nov 03, 2020 3:17 am
by florianj
Is well-tempered metadynamics implemented in VASP? If so, what keywords can I use to adjust the gaussian height over time? Thanks!
Re: Well-Tempered Metadynamics
Posted: Thu Nov 05, 2020 8:14 am
by ferenc_karsai
Well-tempered metadynamics is currently not available in the code.
But it's on the to do list and will become available in future releases.
Re: Well-Tempered Metadynamics
Posted: Fri Nov 06, 2020 7:53 am
by alex
Hi florianj,
maybe this will help:
https://www.plumed.org/
Cheers,
alex