mp-647557/ZrPbO3/harm

Harmonic properties

../../_images/fig_bandos_pr5594.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8002.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5594.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25395.png

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

Summary

../../_images/fig_times10082.png

(a) Computation time