mp-8191/Cs2PtF6/harm

Harmonic properties

../../_images/fig_bandos_pr2068.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2123.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2068.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21889.png

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

Summary

../../_images/fig_times3184.png

(a) Computation time