[CP2K:7964] stress tensor for meta GGA functionals

hut... at chem.uzh.ch hut... at chem.uzh.ch
Tue Jul 19 06:06:26 UTC 2016


Hi

as far as I know, nobody is currently working on this.

regards

Juerg
--------------------------------------------------------------
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
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-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: Wei Lai 
Sent by: cp... at googlegroups.com
Date: 07/17/2016 06:17PM
Subject: [CP2K:7964] stress tensor for meta GGA functionals

Dear cp2k developers,
I understand that stress tensor is not implemented for meta functionals at the moment.  Are there any plans to add this in the future?  I am interested in employing meta functionals in NPT ensembles.  Thanks.
Regards, Wei



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