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JaGeo / LobsterPy

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
https://jageo.github.io/LobsterPy/
BSD 3-Clause "New" or "Revised" License
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Fatband plots #259

Open JaGeo opened 6 months ago

JaGeo commented 6 months ago

It would be nice to provide fatband plots here as well by reading in Lobster outputs.

We would need a KPOINTS file (maybe a KPOINTS.lobster, @davschnieders?) and a way to read the Efermi level (vasprun.xml or something else) to make it work for anything beyond VASP.

I would also need to test if the current implementation in pymatgen works with any KPOINTS file or only certain types.