[QE-users] Nanorod or nanowire electron/hole wave functions

Aaron Friesz friesz at usc.edu
Wed Feb 5 00:26:51 CET 2020


Hello,

I hope you will excuse my naivety a little bit.  I am looking to calculate
the electron and hole wave functions within a quaternary nanorod.  While
I'm fairly sure QE can do this, I can't seem to find succinct tutorials
that lead me to this end.  That being said my question is two-fold:

1 ) Can QE produce a reasonable approximation of theses wave functions?
Computing power should not be an issue, within reason.  I'm able to run
jobs easily on 200+ processors.

2 ) Can anyone recommend tutorials and or reading material that can guide
me through the process?  What I have found is in the way of a slide
presentation and some code snippets.  I'm sure it's helpful, but time is
limited and I can't be certain that what I'm looking at will lead to my
desired goal.

Thanks for any help and recommendations,

-- 
Aaron Friesz
-----------------------------------------------------
University of Southern California
Department of Electrical Engineering - Electrophysics
friesz at usc.edu
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