mp-556139-2/BaZrP2O8/harm

Equation of state

../../_images/fig_bm4286.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8457.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11871.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8457.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28219.png

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

Summary

../../_images/fig_times14836.png

(a) Computation time