[CP2K-user] [CP2K:19135] How to choose the R_Cutoff value for VDW correction

Dhritismita Sarma dhritisarma1 at gmail.com
Mon Jul 24 10:35:58 UTC 2023

Hey Everyone, 
I am finding difficulties in choosing the R_cutoff value for VDW. I am 
using the DFT-D3 approach for the calculation. Also in CP2K manual, I 
couldn't understand the meaning exactly. Can anyone please explain? Thank 
you in advance.


*Range of potential. The cutoff will be 2 times this value*  [Edit on GitHub 

This keyword cannot be repeated and it expects precisely one real.

Default value: 1.05835442E+001

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