mp-1113117/Cs3GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr16422.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20845.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16421.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216006.png

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

Summary

../../_images/fig_times26923.png

(a) Computation time