Hands-on-session7: Calculation of the electron-phonon interaction and superconducting properties скачать в хорошем качестве

Hands-on-session7: Calculation of the electron-phonon interaction and superconducting properties

SSCHA school: "Calculation of the electron-phonon interaction and superconducting properties with the SSCHA" by Ion Errea (Related theory:    • Lecture6: Theory of the electron-phonon in...   ) In this hands-on-session we will learn to calculate the electron-phonon interaction and superconductivity properties in strongly anharmonic systems combining electron-phonon matrix elements calculated within density-functional perturbation theory (DFPT), as implemented in Quantum Espresso (QE), and the anharmonic phonon frequencies and polarization vectors obtained with the SSCHA. For that purpose we will use a slightly modified version of Quantum Espresso version 5.1.0, which includes some extra features developed by us that can be used to combine the electron-phonon matrix elements with real space SSCHA force constants, calculate the α2F(ω), calculate Tc with empirical equations, and solve isotropic Migdal-Eliashberg equations.