mp-21724/ZnSiPbO4/harm

Harmonic properties

../../_images/fig_bandos_pr13353.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17716.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13353.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212993.png

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

Summary

../../_images/fig_times22500.png

(a) Computation time