Phelel

Phelel#

This code provides computations related to electron-phonon interactions using the finite-displacement method with a supercell approach, as reported in:

  • 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)

  • Laurent Chaput, Henrique Miranda, Atsushi Togo, Manuel Engel, Martin Schlipf, Martijn Marsman, Georg Kresse, Phys. Rev. B 113, 014313 (2026)

This code is designed to be used together with the VASP code; electron-phonon interaction properties cannot be computed using this code alone.

Note

To start an electron-phonon calculation with this code, it is recommended to use the velph command-line tool, which systematically orchestrates the phelel and VASP workflows.

License#

BSD-3-Clause.

Contributors#

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