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
).
Related Input Variables¶
compulsory:
- elphflag ELectron-PHonon FLAG
basic:
- 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
useful:
- 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
expert:
- qgrid_type Q GRID TYPE
- use_k_fine USE K-grid FINEr than the coarse k-grid
Selected Input Files¶
tutorespfn:
v5:
- tests/v5/Input/t88.in
- tests/v5/Input/t89.in
- tests/v5/Input/t90.in
- tests/v5/Input/t91.in
- tests/v5/Input/t92.in
- tests/v5/Input/t93.in
- tests/v5/Input/t94.in
- tests/v5/Input/t95.in
- tests/v5/Input/t99.in
v6:
v7:
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).