stress tensor for meta GGA functionals

Wei Lai wei.w... at gmail.com
Sun Jul 17 16:16:54 UTC 2016


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160717/a2d9c2e5/attachment.htm>


More information about the CP2K-user mailing list