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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