[CP2K-user] [CP2K:17668] CP2K background charge

alh chin alhchin at gmail.com
Wed Sep 14 06:42:26 UTC 2022


Dear users & experts,

I have heard that CP2K can automatically add background charge to 
neutralise the system if the system is periodic in at least one dimension 
and the net charge is not zero. 

I would like to know how this works. any reference paper recommended (e.g., 
CP2K development paper)?

Thanks!

Alh

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