mp-569303/ZnB2C8N8/harm

Harmonic properties

../../_images/fig_bandos_pr7013.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9995.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7013.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26790.png

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

Summary

../../_images/fig_times12537.png

(a) Computation time