November 29, 2024, 10:47:13 AM
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Topic: Visualising atomic orbitals in a unit cell... (software for making figures?)  (Read 2790 times)

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Offline apexaviour

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So I usually use VESTA to make my figures, and though the new version is able to do many mad things with calculated electron density isostructures and whatnot, I can't seem to just be able to throw in some clover-leaf d or p orbitals like what was done in the image below (from this paper on tetragonal VO2). Does anyone know what software he uses? I really just want to be able to reproduce something very similar.

Failing that, even if I could just produce some nice pictures of the orbital lobes on an xyz axis, I don't even need to be able to reproduce the crystal structure around it. I can't find anything that seems to cater for this... even AVOGADRO doesn't look like it could do it easily.  ???


Larger image

any help would be great cheers  :)

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