[CP2K:9668] SCAN FUNCTIONALS

hut... at chem.uzh.ch hut... at chem.uzh.ch
Mon Nov 13 11:00:38 CET 2017


Hi

the SCAN functional is available through the libxc interface
with version 3.0.0 (libxc version) and CP2K version 4.1 or later.

regards

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" <cp... at googlegroups.com>
From: 蒋宁 
Sent by: cp... at googlegroups.com
Date: 11/13/2017 01:16AM
Subject: [CP2K:9668] SCAN FUNCTIONALS

Dear ALLDo anyone know how to use the scan functional in CP2K ? thanks







 



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