mp-1077506-2/BN/harm

Harmonic properties

../../_images/fig_bandos_pr16841.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21161.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16840.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216396.png

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

Summary

../../_images/fig_times27480.png

(a) Computation time