mp-989516/Cs2ICl6F/harm

Harmonic properties

../../_images/fig_bandos_pr795.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos704.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo795.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2695.png

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

Summary

../../_images/fig_times1198.png

(a) Computation time