[Wien] STM simulation in wien2k

[Laurence Marks]

The link that Gavin refers to provides information on doing STM simulations
using MATLAB; the lapw2STM code is only for large biases (insulators) and
even then probably not needed.

as Peter's email hinted, a simpler method will be in the next release.
On Jun 27, 2014 1:13 PM, "Gavin Abo" <gsabo at crimson.ua.edu> wrote:

> Maybe "Appendix A. STM Image Simulations: Theory & Implementation" in
> the dissertation by one of Prof. Marks students at the following link is
> of interest to you:
>
> http://www.numis.northwestern.edu/thesis/ThesisAndresHD.pdf
>
> However, I don't know if the lapw2STM code is available to the public.
>
> On 6/27/2014 3:35 AM, Gang Li wrote:
> > Dear wien2k users and administrators
> >
> > I am interested to know the detailed procedure of simulating STM images
> in wien2k. I did some research on google, and learned that the key quantity
> to be calculated is the partial charge density in a given energy range.
> This range is defined by the bias voltage of the simulated STM measurement.
>  The command to be issued is “x lapw2 -emin V_bias”.
> >
> > The above is all I know for the moment. Can anyone give me a detailed
> description of “how to” step by step.  In addition to the calculation, I
> would also like to know how to plot the STM image in both experimental
> modes, i.e. constant current and constant height modes.
> >
> > Thanks in advance
> > Gang Li
>
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