the Blue moon ensemble method

[Chanwoo Noh]

Dear Ning Jiang,

I am also a new user about CP2K, so other experts will answer the exact 
answer later.
As far as I know blue moon ensemble method is not supported in the CP2K, 
but you can use the Metadynamics for calculating the free energy of the 
system.
In addition, there is a NEB(Nudged Elastic Band), which is the method for 
calculating the activation energy, is supported in CP2K.
Here is the exercise link for the NEB
 https://www.cp2k.org/exercises:2016_ethz_mmm:nudged_elastic_band 
<https://www.cp2k.org/exercises:2016_ethz_mmm:nudged_elastic_band> .
 

> Dear CP2K user
>
> I am a new user about CP2K. Recently I read a computation paper and find 
> that the reaction  activation energy can be obtained by using the blue moon 
> ensemble method . I want to know whether the method have been implemented 
> in CP2K and how to use it. 
>
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