mp-568252/Rb2Hg2PdCl8/harm

Equation of state

../../_images/fig_bm3847.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7259.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10245.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7259.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27026.png

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

Summary

../../_images/fig_times12896.png

(a) Computation time