mp-1047792/MgBi2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17098.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21476.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17097.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216650.png

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

Summary

../../_images/fig_times27886.png

(a) Computation time