mp-1078470/TiZnO3/harm

Harmonic properties

../../_images/fig_bandos_pr16876.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21188.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16875.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216430.png

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

Summary

../../_images/fig_times27526.png

(a) Computation time