mp-752656/BaLa2O4/harm

Harmonic properties

../../_images/fig_bandos_pr3930.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo3930.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc23743.png

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

Summary

../../_images/fig_times6805.png

(a) Computation time