January 27, 2003

Phonons and electron-phonon coupling from density functional perturbation theory (DFPT)


Malgorzata Wierzbowska


This is an introduction to phonons and electron-phonon couplings. I will explain how to get those quantities from perturbed density functional theory. Later I give computational detail in the framework of plane-wave pseudopotential code (PWSCF). The application in superconductivity is planned for future seminar.

References

Baroni S., de Gironcoli S., Dal Corso A., Giannozzi P., Rev. Mod. Phys. 73, 515-562 (2001)