mp-775788/Hf2N2O/harm

Harmonic properties

../../_images/fig_bandos_pr2457.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2904.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2457.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22278.png

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

Summary

../../_images/fig_times4048.png

(a) Computation time