ELPH_SELFEN_STATIC

   Warning: This page is under construction!
   
   This page contains information about the upcoming VASP 6.5.0 release.
   Content on this page is subject to change and may be missing important information.

ELPH_SELFEN_STATIC = .TRUE. | .FALSE.
Default: ELPH_SELFEN_STATIC = .FALSE.

Description: Activates the adiabatic approximation for the phonon-induced electron self-energy.

The adiabatic approximation assumes that the electron dynamics are much faster than the phonon dynamics. In other words, there is no energy exchange between the electronic and the phononic subsystems. Mathematically, this is equivalent to setting the phonon frequencies in the denominator of the Fan-Migdal self-energy to zero.

Warning: The adiabatic approximation is ill-suited for polar materials where it may introduce large errors ^[1].

References

↑ S. Poncé, Y. Gillet, J. Laflamme Janssen, A. Marini, M. Verstraete, and X. Gonze, Temperature dependence of the electronic structure of semiconductors and insulators, J. Chem. Phys. 143 (10), 102813 (2015).

[ponce:jcp:2015-1] S. Poncé, Y. Gillet, J. Laflamme Janssen, A. Marini, M. Verstraete, and X. Gonze, Temperature dependence of the electronic structure of semiconductors and insulators, J. Chem. Phys. 143 (10), 102813 (2015).

[1]