mp-1599-2/BN/harm

Equation of state

../../_images/fig_bm40.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr198.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos218.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2184.png

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

Summary

../../_images/fig_times334.png

(a) Computation time