mp-10731/Ba2PrSbO6/harm

Equation of state

../../_images/fig_bm222.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr633.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos548.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo633.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2547.png

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

Summary

../../_images/fig_times925.png

(a) Computation time