[CP2K-user] [CP2K:20548] Calculation with point charge

rajanikanta rana rkrsinu at gmail.com
Mon Aug 12 12:38:46 UTC 2024


Hi everyone,

I need to perform a calculation involving two layers of atoms. For the 
outer layer, I would like to use point charges in place of the actual 
atoms. Could you please tell me which keyword to use in the input file for 
this type of calculation?

Thank you!

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