mp-756795-2/Rb3PbO3/harm

Harmonic properties

../../_images/fig_bandos_pr3361.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4475.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3361.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23180.png

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

Summary

../../_images/fig_times5836.png

(a) Computation time