mp-1112316/CsK2GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr16405.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20834.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16404.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215992.png

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

Summary

../../_images/fig_times26906.png

(a) Computation time