mp-1104888/ZnAg2I4/harm

Harmonic properties

../../_images/fig_bandos_pr16627.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20991.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16626.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216199.png

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

Summary

../../_images/fig_times27185.png

(a) Computation time