This page gives hints on how to compute the linewidth (or lifetime) of phonons, due to the electron-phonon interaction with the ABINIT package.
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
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
Related Input Variables¶
- elphflag ELectron-PHonon FLAG
- kptrlatt K PoinT Reciprocal LATTice
- nqpath Number of Q wavevectors defining a PATH
- qpath Q wavevectors defining a PATH
- telphint Technique for ELectron-PHonon INTegration
- ep_int_gkk Electron-Phonon INTerpolation of GKK
- ep_qptlist Electron Phonon Q PoinT LIST
- ep_scalprod DO SCALar PRODuct for gkk matrix elements
- ndivsm Number of DIVisions for the SMallest segment
- prtnest PRinT the NESTing function
- prtvol PRinT VOLume
Selected Input Files¶
- The lesson 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).