mp-558920-2/NaNbO3/harm

Equation of state

../../_images/fig_bm4029.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7805.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10957.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7805.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27568.png

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

Summary

../../_images/fig_times13769.png

(a) Computation time