mp-752827/Ba2In2O5/harm

Equation of state

../../_images/fig_bm1940.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3956.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5264.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3956.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23769.png

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

Summary

../../_images/fig_times6854.png

(a) Computation time