mp-556176/Li2ZrF6/harm

Harmonic properties

../../_images/fig_bandos_pr8467.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11890.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8467.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28229.png

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

Summary

../../_images/fig_times14856.png

(a) Computation time