mp-1113099/Cs2InGaF6/harm

Harmonic properties

../../_images/fig_bandos_pr16419.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20843.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16418.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216003.png

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

Summary

../../_images/fig_times26920.png

(a) Computation time