[gpaw-users] help with STM

Michael Walter Michael.Walter at fmf.uni-freiburg.de
Mon Mar 18 20:39:47 CET 2013


2013/3/18 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>

>  Den 12-03-2013 22:39, Vladislav Ivanistsev skrev:
>
> Dear all,
> is there anybody in SUNCAT group, who could give an advice on STM code
> from this tutorial:
> https://wiki.fysik.dtu.dk/ase/tutorials/stm-tutorial.html
> looking forward to hearing from you,
>
>
> Please ask more specific questions.
>
> Note that the STM code in ASE will approximate the current as the local
> density of states at the fermi level (using a gaussian of width=0.1 eV
> instead of a delta function).  So that would correspond to a zero bias.  If
> you want to scan with a finite bias, you could take a look at the STM code
> in GPAW - which also has no documentation :-(
>
>
> https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/analyse/simple_stm.py
>
> Jens Jørgen
>

in addition there is the test (in lieu of docs):

https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/gpaw/test/simple_stm.py

Michael

>
>  Vladislav Ivanistsev
>
>
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PD Dr Michael Walter
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