mp-755790-2/HfPbO3/harm

Harmonic properties

../../_images/fig_bandos_pr3482.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4653.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23300.png

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

Summary

../../_images/fig_times6055.png

(a) Computation time