mp-1205404/K2BC3N3/harm

Harmonic properties

../../_images/fig_bandos_pr15409.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19785.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15408.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215012.png

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

Summary

../../_images/fig_times25483.png

(a) Computation time