[CP2K-user] DELTA_T value in Metadynamics

Nam Tran trann... at gmail.com
Mon Sep 23 06:30:24 UTC 2019


Dear CP2K's users and experts,

Can anyone confirm me that the DELTA_T value is related to the bias factors 
by the formula lmda = (T + DELTA_T)/T ?.
I saw in some well-tempered metadynamics literature the bias factor is 
around 6.0.
Therefore the DELTA_T calculated using the above equation is very high 
(1500K if T=300K).
Is that a good starting value?

Regards
Nam
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