How can band structures and Fermi surfaces calculated with Density Functional Theory (DFT) be effectively employed in the study of superconductivity?

What are the key features or indications related to superconductivity that can be inferred from the calculated band structure or Fermi surface?

  • $\begingroup$ There is actually many textbooks talking about this. The superconductivity we know about, utilises electron-phonon coupling, so you would also need to use DFPT to generate the photon spectrum. All parts of this chain of simulations can be done, say, with Quantum ESPRESSO. $\endgroup$ Nov 14, 2023 at 6:11


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