mp-557448-2/Ba2CaUO6/harm

Equation of state

../../_images/fig_bm4279.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8441.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11855.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8441.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28203.png

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

Summary

../../_images/fig_times14809.png

(a) Computation time