mp-754846/Ce2Nd2O7/harm

Harmonic properties

../../_images/fig_bandos_pr3606.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4834.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3606.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23424.png

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

Summary

../../_images/fig_times6280.png

(a) Computation time