mp-775787/Hf2N2O/harm

Harmonic properties

../../_images/fig_bandos_pr2455.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2902.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2455.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22276.png

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

Summary

../../_images/fig_times4046.png

(a) Computation time