mp-779001/Sr4Hf3O10/harm

Harmonic properties

../../_images/fig_bandos_pr2185.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2273.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2185.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22006.png

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

Summary

../../_images/fig_times3379.png

(a) Computation time