[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
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