mp-753443/NaBeO2/harm

Equation of state

../../_images/fig_bm1962.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4006.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5331.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4006.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23819.png

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

Summary

../../_images/fig_times6935.png

(a) Computation time