mp-989466/B2C3N6/harm

Harmonic properties

../../_images/fig_bandos_pr790.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos698.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo790.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2690.png

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

Summary

../../_images/fig_times1192.png

(a) Computation time