mp-555318-2/K2ZnSi2O6/harm

Harmonic properties

../../_images/fig_bandos_pr8901.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12552.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8901.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28662.png

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

Summary

../../_images/fig_times15608.png

(a) Computation time