mp-558102/KLiSi2O5/harm

Harmonic properties

../../_images/fig_bandos_pr8264.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11621.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8264.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28026.png

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

Summary

../../_images/fig_times14529.png

(a) Computation time