mp-567594/Cs2HgI4/harm

Harmonic properties

../../_images/fig_bandos_pr7181.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10174.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7181.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26951.png

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

Summary

../../_images/fig_times12791.png

(a) Computation time