mp-8963/Cs2HgF4/harm

Harmonic properties

../../_images/fig_bandos_pr1668.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1597.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1668.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21501.png

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

Summary

../../_images/fig_times2493.png

(a) Computation time