mp-755451-2/BaLa2Br8/harm

Harmonic properties

../../_images/fig_bandos_pr3406.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4538.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3406.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23225.png

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

Summary

../../_images/fig_times5913.png

(a) Computation time