4.9 Calculation of phonon-renormalization of electron bands

The phonon-induced renormalization of electron bands can be computed using PHonon. After SCF, PHONON, and NSCF calculations, one can run ph.x with the electron_phonon=`ahc' option, which generates binary files containing quantities required for the calculation of electron self-energy. Then, a postahc.x run reads these binary files and compute the phonon-induced electron self-energy at a given temperature.

For more details, see the PHonon/Doc/dfpt_self_energy.pdf file.

Also, there is an example in PHonon/example/example19/.

Implementation of this functionality in QUANTUM ESPRESSO is described in the following paper:

J.-M. Lihm and C.-H. Park, Phys. Rev. B 101, 121102 (2020).