mp-10089-2/Ba5Sb4/harm

Harmonic properties

../../_images/fig_bandos_pr500.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos447.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo500.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2425.png

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

Summary

../../_images/fig_times755.png

(a) Computation time