mp-1207118/Ba2CdMoO6/harm

Harmonic properties

../../_images/fig_bandos_pr15484.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19850.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15483.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215080.png

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

Summary

../../_images/fig_times25576.png

(a) Computation time