[QE-users] How to calculate the dI/dV (STS)

[Christoph Wolf]

Dear all,

I was wondering if there is a tool that is able to calculate the dI/dV for
output from PWSCF? I guess the way it is currently implemented would be to
calculate a set of STM images for different biases and then take the
numerical derivative but for larger systems this is actually really time
consuming and since we have the wave functions at the end of a calculation
there might be a better way to do this. There is for example this code:
https://github.com/qphensurf/STMpw which unfortunately is currently not
interfaced with PWSCF.

Any help is much appreciated!

Happy new year everyone!

Chris

-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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