mp-1046967/ZnSi2SnO6/harm

Harmonic properties

../../_images/fig_bandos_pr17069.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21430.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17068.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216621.png

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

Summary

../../_images/fig_times27831.png

(a) Computation time