[CP2K-user] Remove symmetry of electron density

Matt W mattwa... at gmail.com
Wed Mar 3 15:13:03 UTC 2021

Currently there is no spatial symmetry used in the electronic structure 

Broken symmetry spin state inital guesses can be generated with options in 
the KIND section.
On Tuesday, February 23, 2021 at 1:45:56 PM UTC ASSIDUO Network wrote:

> Hi there, everyone. I just wanted to how CP2K deals with the symmetry of 
> electron density (not the general structure). Is symmetry included, and if 
> so, is there a way to remove it? This is something my supervisor would like 
> me to look at.
> I look forward to your response.
> Lenard

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210303/cb1d6e4f/attachment.htm>

More information about the CP2K-user mailing list