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                                            JFCastello

Question: How to filter specific atomic indices (inequivalent sites) in "overlay" mode for Quantum Espresso?

Hello, I have a question regarding the usage of the items dictionary in bandsplot (specifically mode='overlay') when using Quantum Espresso outputs. I am trying to analyze the band structure of...

IndexError in pyprocar.scripts.dosplot when parsing QE DOS directory (atoms array empty)

When calling pyprocar.bandsdosplot for Quantum ESPRESSO outputs, the DOS parsing fails with an IndexError: tuple index out of range while constructing the Structure object, apparently because the atoms array is...