mp-13109-2/SrHfO3/harm

Equation of state

../../_images/fig_bm7426.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14835.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19208.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14835.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214453.png

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

Summary

../../_images/fig_times24623.png

(a) Computation time