mp-27690/Sr3Zr2O7/harm

Harmonic properties

../../_images/fig_bandos_pr12186.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16306.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12186.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211886.png

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

Summary

../../_images/fig_times20652.png

(a) Computation time