mp-555272-2/Na5Zr2F13/harm

Harmonic properties

../../_images/fig_bandos_pr8896.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12538.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8896.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28657.png

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

Summary

../../_images/fig_times15593.png

(a) Computation time