mp-550070/NbBr2O/harm

Harmonic properties

../../_images/fig_bandos_pr9102.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12815.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9102.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28864.png

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

Summary

../../_images/fig_times15917.png

(a) Computation time