[Wien] [SPAM?] LSDA + U calculation

[Peter Blaha]

There's not much to say, except that this is VERY unlikely to be correct.

Am 23.10.2011 06:22, schrieb kangbugy at lycos.co.kr:
> Hi, dear userguides.
> I calculate the TMO(transition metal oxide).
> In experiment, this material has a ferromagnetic(FM) Insulating state.
> I got FM metallic state in LSDA.
> To get FM insulting state, I calculated coulomb repulsion calculation(LDA + U).
> As a result, I got a non-magnetic state.
> I want to take some advice.
> Can you help me, please?
> Aaron, Jung. Master course
> ************************************************************
> * Department of Applied physics, Korea University
> * Jochiwon, Chungnam 339-700, Korea
>
> * e-mail: kangbugy <mailto:kangbugy at lycos.co.kr>@ <mailto:kangbugy at r>lycos.co.kr
> ************************************************************
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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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