mp-989580/Cs2KNF6/harm

Harmonic properties

../../_images/fig_bandos_pr838.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos744.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo838.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2735.png

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

Summary

../../_images/fig_times1243.png

(a) Computation time