Probe-Particle / PPSTM

Code simulating variousSTM techniques, especially for tilting tip (dependent on https://github.com/Probe-Particle/ppafm)l)
MIT License
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Tilting of the orbitals not in PPSTM_simple.py #7

Open ondrejkrejci opened 2 years ago

ondrejkrejci commented 2 years ago

There is a procedure to calculate this: https://github.com/Probe-Particle/PPSTM/blob/03449bd70aeaf0f466ac7525dcdc9ac4c28d73fb/pyPPSTM/ProbeSTM.py#L65 but the version for PPSTM_simple.py is not updated and properly tested. Once more, I will try to dig the code out, but it will be outdated. It is not that much important, but I remember, that I've used it in some extra calculations for ref. of https://pubs.acs.org/doi/abs/10.1021/jacs.0c02534 ; And it would be good to have this option at least for some of the tip-sample combination.