mp-1207116/Sr2PrTaO6/harm

Harmonic properties

../../_images/fig_bandos_pr15483.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19849.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215079.png

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

Summary

../../_images/fig_times25575.png

(a) Computation time