mp-756597/Li2HfO3/harm

Harmonic properties

../../_images/fig_bandos_pr3330.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4414.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3330.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23149.png

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

Summary

../../_images/fig_times5766.png

(a) Computation time