mp-973335/Hg2H6CN3Cl5/harm

Harmonic properties

../../_images/fig_bandos_pr1008.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos935.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1008.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2877.png

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

Summary

../../_images/fig_times1503.png

(a) Computation time