[CP2K-user] [CP2K:21140] metadynamics energy convergence

'SAURABH SINGH' via cp2k cp2k at googlegroups.com
Wed Feb 12 12:01:43 UTC 2025


Hii 

I am facing a problem in metadynamics study

I am using normal metadynamics.
In my case I am getting the multiple recrossing, but my energy is not 
converging 
I am using wall height 1 kcal/mol and sigma as 0.3 

Is it indicating issues with CV?

I will be very grateful if you can give some valuable insights

Thank you

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