[CP2K-user] Periodic efield and stress tensor

Pierre-André Cazade pierre.a... at gmail.com
Fri Feb 28 12:11:40 UTC 2020

Dear CP2K developers,

The use of the stress tensor in presence of a periodic electric field is 
still disabled, yet when I check the file qs_efield_berry.F in the 
development version (8.0), it seems that all contributions are correctly 
added to the virial. Is it disabled until further testing or disabled 
because some contributions are still missing?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200228/fcbe094d/attachment.htm>

More information about the CP2K-user mailing list