[CP2K-user] [CP2K:20423] How to use vdW-DF2 functional correctly in cp2k?

Yao a22137052 at gmail.com
Sat Jul 6 03:39:11 UTC 2024


Dear all, 

I'm trying to use vdW-DF2 functional in cp2k. I've referred 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 right input file.

Can anyone teach me to build the &XC section for the input file correctly? 

Thank you.

Best regards, 

Yao

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