mp-776271/Zr2N2O/harm

Harmonic properties

../../_images/fig_bandos_pr2271.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2541.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2271.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22092.png

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

Summary

../../_images/fig_times3665.png

(a) Computation time