mp-1217453/TePb3Br2O4/harm

Harmonic properties

../../_images/fig_bandos_pr15227.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19606.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15226.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214839.png

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

Summary

../../_images/fig_times25199.png

(a) Computation time