mp-770645/Li8HfO6/harm

Harmonic properties

../../_images/fig_bandos_pr2721.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo2721.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc22542.png

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

Summary

../../_images/fig_times4552.png

(a) Computation time