mp-989637/BaReN3/harm

Harmonic properties

../../_images/fig_bandos_pr866.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos774.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo866.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2761.png

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

Summary

../../_images/fig_times1277.png

(a) Computation time