mp-4187-2/Ge2N2O/harm

Equation of state

../../_images/fig_bm5189.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10353.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14298.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10353.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210098.png

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

Summary

../../_images/fig_times17872.png

(a) Computation time