[Wien] STM simulation in wien2k
Gang Li
gangli at physik.uni-wuerzburg.de
Fri Jun 27 11:35:17 CEST 2014
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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