mp-729632/ZnC4N2O6/harm

Equation of state

../../_images/fig_bm1973.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4026.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5366.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4026.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23839.png

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

Summary

../../_images/fig_times6977.png

(a) Computation time