mp-1227444/BiPbBrO2/harm

Harmonic properties

../../_images/fig_bandos_pr15124.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19501.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15123.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214739.png

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

Summary

../../_images/fig_times25034.png

(a) Computation time