mp-27301-2/Rb3Au3Cl8/harm

Equation of state

../../_images/fig_bm6086.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12328.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16539.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12328.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212027.png

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

Summary

../../_images/fig_times20919.png

(a) Computation time