mp-556234-2/Rb3Sb5O14/harm

Equation of state

../../_images/fig_bm4300.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8482.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11913.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28244.png

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

Summary

../../_images/fig_times14881.png

(a) Computation time