mp-10089/Ba5Sb4/harm

Equation of state

../../_images/fig_bm159.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr499.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos446.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo499.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2424.png

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

Summary

../../_images/fig_times754.png

(a) Computation time