mp-1191155/TiP2PbO8/harm

Harmonic properties

../../_images/fig_bandos_pr16057.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20473.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16056.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215652.png

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

Summary

../../_images/fig_times26417.png

(a) Computation time