mp-30927/CsAs4F13/harm

Harmonic properties

../../_images/fig_bandos_pr11124.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15077.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11124.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210841.png

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

Summary

../../_images/fig_times19015.png

(a) Computation time