mp-22967/Li2FeBr4/harm

Harmonic properties

../../_images/fig_bandos_pr13158.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17549.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13158.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212816.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times22225.png

(a) Computation time