mp-2979-2/ZnGeN2/harm

Equation of state

../../_images/fig_bm6640.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13297.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17656.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13297.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212939.png

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

Summary

../../_images/fig_times22416.png

(a) Computation time