mp-10426/Nb2O5/harm

Equation of state

../../_images/fig_bm189.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr571.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos495.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo571.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2489.png

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

Summary

../../_images/fig_times839.png

(a) Computation time