Phelel

Phelel#

A code that provides a few computations related to electron-phonon interaction calculation in finite-displacement method reported by

  • Laurent Chaput, Atsushi Togo, and Isao Tanaka, Phys. Rev. B 100, 174304 (2019).

  • Manuel Engel, Henrique Miranda, Laurent Chaput, Atsushi Togo, Carla Verdi, Martijn Marsman, and Georg Kresse, Phys. Rev. B 106, 094316 (2022)

This code couples with VASP code, and the electron-phonon interaction properties cannot be computed only using this code.

Properties calculated using phelel and VASP codes:

  • Thermoelectric properties

  • Bandgap renormalization

License#

BSD-3-Clause.

Contributors#