mp-21283-2/Cs2PbO3/harm

Equation of state

../../_images/fig_bm6652.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13322.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17679.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13322.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212962.png

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

Summary

../../_images/fig_times22452.png

(a) Computation time