[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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