mp-21489/Rb2PbO3/harm

Harmonic properties

../../_images/fig_bandos_pr13333.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17693.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13333.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212973.png

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

Summary

../../_images/fig_times22468.png

(a) Computation time