mp-756073-2/Rb2ZrO3/harm

Harmonic properties

../../_images/fig_bandos_pr3529.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4720.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3529.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23347.png

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

Summary

../../_images/fig_times6139.png

(a) Computation time