[CP2K-user] How to calculate the theoretical capacity for battery anode material using cp2k?

Nimali Rathnayake nimalira... at gmail.com
Tue Sep 24 05:56:39 UTC 2019

Dear cp2k users,

I am trying to do the theoretical capacity calculation for different
graphite anode material.

Can anyone explain me how to get the theoretical capacity of a anode
material like graphite using computational  method like cp2k?

I am very grateful for your help and suggestions.

Kind regards,

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