mp-756591-2/Sm3NbO7/harm

Equation of state

../../_images/fig_bm1565.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3329.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4411.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3329.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23148.png

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

Summary

../../_images/fig_times5763.png

(a) Computation time