mp-729632-2/ZnC4N2O6/harm

Harmonic properties

../../_images/fig_bandos_pr4027.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5367.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4027.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23840.png

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

Summary

../../_images/fig_times6978.png

(a) Computation time