mp-775805/Zr2N2O/harm

Harmonic properties

../../_images/fig_bandos_pr2231.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2413.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2231.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22052.png

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

Summary

../../_images/fig_times3525.png

(a) Computation time