mp-27192/CsBe2F5/harm

Harmonic properties

../../_images/fig_bandos_pr12276.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16464.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12276.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211975.png

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

Summary

../../_images/fig_times20830.png

(a) Computation time