mp-567798/Hg4AsI5/harm

Harmonic properties

../../_images/fig_bandos_pr7210.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10194.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7210.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26978.png

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

Summary

../../_images/fig_times12826.png

(a) Computation time