mp-27198-2/CdN2O6/harm

Harmonic properties

../../_images/fig_bandos_pr12282.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16474.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12282.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211981.png

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

Summary

../../_images/fig_times20840.png

(a) Computation time