mp-756868/Rb3DyO3/harm

Harmonic properties

../../_images/fig_bandos_pr3368.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4492.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3368.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23187.png

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

Summary

../../_images/fig_times5854.png

(a) Computation time