mp-1181119/Hg2ClO/harm

Harmonic properties

../../_images/fig_bandos_pr16140.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20568.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16139.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215735.png

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

Summary

../../_images/fig_times26543.png

(a) Computation time