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PhononWidth

This page gives hints on how to compute the linewidth (or lifetime) of phonons, due to the electron-phonon interaction with the ABINIT package.

Introduction

This topic concerns metals only.

After generating a GKK file (see topic_ElPhonInt), the Electron-Phonon Coupling (EPC) analysis is performed in anaddb, setting elphflag variable to 1. Most of the procedure is automatic, but can be lengthy if a large number of k-points is being used. The nqpath and qpath variables must be set, specifying a path in reciprocal space. anaddb generates files containing the phonon linewidths (suffixed _LWD) and frequencies ωqj (suffixed _BST) along qpath. One can calculate the nesting function n(q) = ∑kii’ δ(εk,i) δ(εk+q,i’) by setting prtnest to 1 (output to _NEST).

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Selected Input Files

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Tutorials

  • The tutorial on the electron-phonon interaction presents the use of the utility MRGKK and ANADDB to examine the electron-phonon interaction and the subsequent calculation of superconductivity temperature (for bulk systems).