mp-1111407/KNa2SbF6/harm

Harmonic properties

../../_images/fig_bandos_pr16366.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20799.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16365.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215956.png

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

Summary

../../_images/fig_times26866.png

(a) Computation time