[Wien] How to determine the exchange splitting in metals ?

[Peter Blaha]

I would do this with the band structure (because this could be 
k-dependent), but DOS is also fine.

Just shift up and dn DOS in energy until they overlap as much as 
possible. This shift is your exchange splitting.

Am 24.04.2020 um 00:07 schrieb Abderrahmane Reggad:
> Hello wien2k users
> 
> I have calculated the DOS of the paramagnetic and ferromagnetic of 3d 
> transition metals Ni , Fe and I want to determine the exchange splitting 
> between the paramagnetic and ferromagnetic states.
> 
> How to do that ?
> 
> Best regards
> 
> -- 
> Dr. Abderrahmane Reggad
> Engineering Physics Laboratory
> Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, 
> Algeria
> Tel: +213(0)561861963 - Algeria
> 
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671