mp-8963-2/Cs2HgF4/harm

Equation of state

../../_images/fig_bm617.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1669.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1598.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1669.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21502.png

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

Summary

../../_images/fig_times2494.png

(a) Computation time