[Wien] STM simulations

[Michael Gurnett]

How does one perform constant current simulations using Wien2k

Michael

On Sun, 2006-05-28 at 17:57 +0200, Peter Blaha wrote:
> a) I think that this code is quite compatible also with WIEN2k. As far as 
> I know it has a convenient interface for a "constant current" simulations.
> 
> b) Using standard lapw5 you can easily simulate "constant hight" 
> simulations, but also "constant current" is easy (at least along lines).
> 
> 
> > I am planning to do some STM simulations. A long time ago I was given
> > code from Mira Todorova with an altered version of lapw5. However, this
> > was for Wien97. I was wondering if any one else has developed methods
> > for stm simulations. I have also seen a software package known as bSKAN
> > being mentioned. Does anyone have any experience with this.
> > 
> > Thanks 
> > 
> > Michael
> > 
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> > 
> 
> 
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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