[CP2K-user] [CP2K:12381] How to include vdW-revPBE function

hut... at chem.uzh.ch hut... at chem.uzh.ch
Mon Oct 21 08:29:53 UTC 2019


see the cp2k/data/xc_section directory for the official version
of non-local functionals.
This is available in the Github trunk version of CP2K.


Juerg Hutter
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland

-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: "Nimali Rathnayake" 
Sent by: cp... at googlegroups.com
Date: 10/21/2019 05:00AM
Subject: [CP2K:12381] How to include vdW-revPBE function

Hi Everyone,

Can you please explain me how to include the vdW-revPBE function in cp2k calculations?

Kind regards,


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