[CP2K-user] Spin polarized calculation with xTB

Mauro Sgroi maurofran... at gmail.com
Fri Mar 5 08:33:18 UTC 2021


Dear all,
I'm trying to understand if it is possible to use xTB to perform spin 
polarized calculations.
If yes, which is the right way to proceed?
Is there an howto to follow?

Thannks a lot and best regards,
Mauro Sgroi
Centro Ricerche FIAT
Italy
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210305/7581fc6a/attachment.htm>


More information about the CP2K-user mailing list