mp-1189914/ZnSiAg2S4/harm

Harmonic properties

../../_images/fig_bandos_pr15945.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20356.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15944.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215540.png

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

Summary

../../_images/fig_times26261.png

(a) Computation time