[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.
Thanks,
Story
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