Citations for STM image using PARCHG and p4vasp
Posted: Thu Oct 24, 2024 8:38 pm
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?
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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?
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