[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


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


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: 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


You received this message because you are subscribed to the Google Groups "cp2k" group.

To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.

To post to this group, send email to cp... at googlegroups.com.

Visit this group at https://groups.google.com/group/cp2k.

For more options, visit https://groups.google.com/d/optout.

More information about the CP2K-user mailing list