Simple Monte Carlo in CP2K

Yifei Shi syf.ta... at
Sun Feb 4 23:51:26 UTC 2018

Dear All,

I'm trying to run a simple Monte Carlo simulation of Silicon with a defect 
in CP2K, the only update I want to use is straight forward atom 

I have a bit trouble setting up the update moves and ensemble. I suppose 
is the update to choose, but with traditional ensemble it also requires a  
AVBMC_ATOM value, which I'm not sure what it is.

Should I use a different ensemble or should I also set up AVBMC_ATOM?

Thanks very much for any suggestions!

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