[Wien] Core State Energies

[Peter Blaha]

> I have a short question: The Core State Energies given in the case.scf file, with respect to what energy are they given? Is it relative to the Fermi level?
> 

THese energies are with respect to an energy zero defined as "average 
coulomb potential in the interstitial" = 0

Since this could change between two calculations, you should take the 
difference to EF and quote these values (or core-level shifts) with 
respect to EF.

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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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