mp-1113892/KRb2AsF6/harm

Harmonic properties

../../_images/fig_bandos_pr16078.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20498.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16077.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215673.png

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

Summary

../../_images/fig_times26444.png

(a) Computation time