mp-1205759/Ba2YbUO6/harm

Harmonic properties

../../_images/fig_bandos_pr15427.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19808.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215030.png

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

Summary

../../_images/fig_times25507.png

(a) Computation time