mp-1193975/Pb3BrO3/harm

Harmonic properties

../../_images/fig_bandos_pr15848.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20255.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15847.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215443.png

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

Summary

../../_images/fig_times26116.png

(a) Computation time