mp-510273-2/CsSbO2/harm

Equation of state

../../_images/fig_bm4795.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9601.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13419.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9601.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29362.png

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

Summary

../../_images/fig_times16698.png

(a) Computation time