mp-540575/ZnHg2H14C4N6O13/harm

Harmonic properties

../../_images/fig_bandos_pr9679.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13543.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9679.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29440.png

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

Summary

../../_images/fig_times16841.png

(a) Computation time