mp-1194412/Pb3Se2Br2O6/harm

Harmonic properties

../../_images/fig_bandos_pr15872.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20284.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15871.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215467.png

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

Summary

../../_images/fig_times26157.png

(a) Computation time