values of the bias in simulating STM images

eft rsd rashe... at gmail.com
Sat May 26 13:58:00 UTC 2018


Hi,
I have a question on setting the bias when plotting STM images. My HOMO and 
LUMO orbitals are slightly perturbed. I extracted the energy spacing 
between the HOMO relative to the lowest component and found them to be 

{0, 0.0068571, 0.0159999, 0.0234556, 0.0286801}

and the LUMO orbitals 

{1.66051, 1.66725, 1.67422}

in eV units. In the real experiment, the orbitals should be well separated 
to be probed individually. My question here is: Is it possible to set the 
bias values in CP2K such that the individual orbitals are simulated?

Thank you,
eftsrd
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