mp-5663-2/BaCeO3/harm

Equation of state

../../_images/fig_bm5018.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10031.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13964.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10031.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29784.png

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

Summary

../../_images/fig_times17409.png

(a) Computation time