mp-16055-2/KLi3Zr2Si12O30/harm

Harmonic properties

../../_images/fig_bandos_pr14378.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18753.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14378.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214003.png

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

Summary

../../_images/fig_times23975.png

(a) Computation time