mp-13190/KRb2GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr14847.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19221.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14847.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214465.png

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

Summary

../../_images/fig_times24640.png

(a) Computation time