How can I calculate the bandstructure of an Fe-pnictide/chalcogenide using Quantum Espresso?

I'm attempting to reproduce the bandstructure of LaFeAsO from Ref [1], Fig 2; as well as the much simpler FeSe. I expect (from experiments and published DFT results, i.e [1]) the bands...

09 November 2021 6,078 2 View