mp-22184/Ba2SmNbO6/harm

Harmonic properties

../../_images/fig_bandos_pr13028.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17411.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13028.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212708.png

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

Summary

../../_images/fig_times22018.png

(a) Computation time