mp-22450-2/Li2PbO3/harm

Equation of state

../../_images/fig_bm6520.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13066.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17437.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13066.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212745.png

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

Summary

../../_images/fig_times22066.png

(a) Computation time