mp-1096810/Al2ZnS4/harm

Harmonic properties

../../_images/fig_bandos_pr16712.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21057.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16711.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216281.png

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

Summary

../../_images/fig_times27298.png

(a) Computation time