mp-754269-2/Nd3SbO7/harm

Equation of state

../../_images/fig_bm1864.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3833.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5083.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3833.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23647.png

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

Summary

../../_images/fig_times6628.png

(a) Computation time