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Citations for STM image using PARCHG and p4vasp

Posted: Thu Oct 24, 2024 8:38 pm
by KWH

I would like to use the correct citations for the process of converting a PARCHG file to a constant current image in p4vasp. Can you help with this?


Re: Citations for STM image using PARCHG and p4vasp

Posted: Fri Oct 25, 2024 7:33 am
by michael_wolloch

Dear KWH,

p4vasp was not developed by the VASP software company directly and has not been updated for years. We are developing py4vasp as a preferred postprocessing and visualization tool.

However, STM simulation is impossible with py4vasp as of now. I have done some work to implement STM in the Tersoff-Hamann picture, which will be released in the not-too-distant future.

I don't think there is a way to cite p4vasp, but it was developed by Orest Dubay, and you might find a paper of his dealing with STM. Otherwise, you can always cite the GitHub page of p4vasp.

Generally, I would suggest to cite primary literature on the method, the original Tersoff-Hamann paper.

Cheers, Michael