mp-1048779/MgBi2O6/harm

Harmonic properties

../../_images/fig_bandos_pr17107.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21503.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17106.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216659.png

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

Summary

../../_images/fig_times27915.png

(a) Computation time