mp-1110980/Cs2NaPrF6/harm

Harmonic properties

../../_images/fig_bandos_pr16315.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20750.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16314.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215906.png

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

Summary

../../_images/fig_times26815.png

(a) Computation time