mp-13108-2/SrHfO3/harm

Harmonic properties

../../_images/fig_bandos_pr15189.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15188.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214801.png

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

Summary

../../_images/fig_times25135.png

(a) Computation time