mp-28224/Hg2AsCl2/harm

Harmonic properties

../../_images/fig_bandos_pr11759.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15767.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11759.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211470.png

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

Summary

../../_images/fig_times19965.png

(a) Computation time