[CP2K-user] Using BEEF-vdW functionals

Story Temen story... at gmail.com
Tue Nov 10 20:36:09 UTC 2020

Hi all,
I'm trying to set up a simple energy calculation using BEEF-vdW 
functionals. I have found input settings in the CP2K manual to use, 
specifically `&XC_FUNCTIONAL BEEFVDW`, but it is my understanding that I 
would also have to select BEEF-vdW potentials from the potential file and 
include it under `&KIND POTENTIAL`. I can't find BEEF-vdW potentials to 
use. Any guidance would be appreciated.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201110/b325239b/attachment.htm>

More information about the CP2K-user mailing list