mp-554929/CsNdNb2O7/harm

Equation of state

../../_images/fig_bm4441.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8797.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12392.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8797.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28558.png

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

Summary

../../_images/fig_times15429.png

(a) Computation time