mp-1227937/BaBiBrO2/harm

Harmonic properties

../../_images/fig_bandos_pr15133.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19512.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15132.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214748.png

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

Summary

../../_images/fig_times25047.png

(a) Computation time