[CP2K-user] [CP2K:20424] How to use vdW-DF2 functional correctly in cp2k?

Yao a22137052 at gmail.com
Sat Jul 6 03:28:35 UTC 2024


Dear all, I am going to use the vdW-DF2 functional in cp2k. I haved refered 
to the paper J. Chem. Phys. 138, 204103 (2013)  and the manual website 
https://manual.cp2k.org/trunk/CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/NON_LOCAL.html, 
but I'm still not sure about making the correct input file.

Can anyone teach me how to bulid the &XC section correctly?

Thank you. 

Best regards, 

Yao

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