mp-1080842/Ba2UPbO6/harm

Harmonic properties

../../_images/fig_bandos_pr17000.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21312.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16999.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216552.png

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

Summary

../../_images/fig_times27704.png

(a) Computation time