[Wien] Fermi level

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Jul 19 08:38:19 CEST 2006


In WIEN2k06.2 there was a "bug" for spinpolarized insulating systems 
which could eventually lead to different EF for spin-up/dn. It was fixed 
in WIEN2k_06.3

> Dear wien2k community,
> 
> Recently I met a weird problem. The converged scf result had different Fermi levels for spin-up and spin-down states. It looks to me that there are no ghost states (no big QTL-B values) existing in my calculations. Could you please suggest me what I should check when this problem happens?
> 
> Your reply will be highly appreciated!
> 
> Stargmoon
> 
>  		
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                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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