mp-634381-2/V2Zn2O7/harm

Equation of state

../../_images/fig_bm2789.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5652.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8124.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5652.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25451.png

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

Summary

../../_images/fig_times10216.png

(a) Computation time