mp-555021-2/TePbO3/harm

Harmonic properties

../../_images/fig_bandos_pr8818.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12425.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8818.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28579.png

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

Summary

../../_images/fig_times15463.png

(a) Computation time