mp-772758/Sm2Zr2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2584.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3119.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2584.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22405.png

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

Summary

../../_images/fig_times4295.png

(a) Computation time