mp-977584/Zr2ZnAg2F14/harm

Harmonic properties

../../_images/fig_bandos_pr1057.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos986.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1057.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2925.png

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

Summary

../../_images/fig_times1579.png

(a) Computation time