[CP2K-user] What are the ways to add a charge to a system?

Dev Rana dev.... at gmail.com
Fri Feb 21 22:45:01 UTC 2020

I was looking to put a charge to a C-Al bond. Specifically if there was a 
C+ or a C- to the molecule. 

C+ -- Al
C -- Al
C- -- Al

Does anyone know how I would go about this?

Is it as simple as using Force_Eval > DFT > Charge 0, -1, +1?

Best Regards,
Devyesh Rana
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