mp-725922/CdC2N4O4/harm

Equation of state

../../_images/fig_bm2091.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4191.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5751.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4191.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24004.png

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

Summary

../../_images/fig_times7377.png

(a) Computation time