mp-1020712/ZnSiN2/harm

Harmonic properties

../../_images/fig_bandos_pr129.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos161.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo129.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2128.png

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

Summary

../../_images/fig_times225.png

(a) Computation time