mp-1205934/Ba2YbMoO6/harm

Harmonic properties

../../_images/fig_bandos_pr15432.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19812.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15431.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215035.png

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

Summary

../../_images/fig_times25513.png

(a) Computation time