[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
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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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