Page 1 of 1

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