mp-573204/Cs2KBiF6/harm

Harmonic properties

../../_images/fig_bandos_pr6708.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9646.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6708.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26498.png

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

Summary

../../_images/fig_times12046.png

(a) Computation time