mp-756175/Zr2Bi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr3256.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4312.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3256.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23075.png

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

Summary

../../_images/fig_times5643.png

(a) Computation time