mp-1205687/Sr2PrNbO6/harm

Harmonic properties

../../_images/fig_bandos_pr15424.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19802.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15423.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215027.png

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

Summary

../../_images/fig_times25501.png

(a) Computation time