mp-990440/Na2ZrO3/harm

Harmonic properties

../../_images/fig_bandos_pr873.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos781.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo873.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2768.png

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

Summary

../../_images/fig_times1288.png

(a) Computation time