[DFTB-Plus-User] DFTB+U

toufik esssakhri tousak at hotmail.fr
Tue Jun 22 13:21:58 CEST 2021


Dear all,

I want to perform DFTB+U calculations. In the manual I found two keywords that I can use for it but I can not understand the difference
Could someone give more explanations about the difference between "CustomisedHubbards"  and "OrbitalPotential"? Which one is more suitable for DFTB+U calculations?

Thank you
Toufik
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