mp-6844/KLi3Si12Sn2O30/harm

Harmonic properties

../../_images/fig_bandos_pr6187.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9057.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6187.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25978.png

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

Summary

../../_images/fig_times11266.png

(a) Computation time