mp-752395-2/Ba2Na2O3/harm

Harmonic properties

../../_images/fig_bandos_pr4132.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5595.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4132.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23945.png

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

Summary

../../_images/fig_times7215.png

(a) Computation time