mp-755544-2/YTlO2/harm

Harmonic properties

../../_images/fig_bandos_pr3424.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo3424.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc23243.png

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

Summary

../../_images/fig_times5949.png

(a) Computation time