mp-1078725/Ba2UZnO6/harm

Harmonic properties

../../_images/fig_bandos_pr16892.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21205.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16891.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216446.png

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

Summary

../../_images/fig_times27551.png

(a) Computation time