mp-22634/K4SrU3O12/harm

Harmonic properties

../../_images/fig_bandos_pr13086.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17466.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13086.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212764.png

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

Summary

../../_images/fig_times22105.png

(a) Computation time