mp-4497-2/Si2N2O/harm

Equation of state

../../_images/fig_bm5228.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10422.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14365.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10422.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210165.png

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

Summary

../../_images/fig_times17976.png

(a) Computation time