mp-1111005/KNa2ScF6/harm

Harmonic properties

../../_images/fig_bandos_pr16319.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20753.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16318.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215909.png

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

Summary

../../_images/fig_times26819.png

(a) Computation time