mp-1110788/Rb2PrAgF6/harm

Harmonic properties

../../_images/fig_bandos_pr16303.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20740.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16302.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215896.png

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

Summary

../../_images/fig_times26803.png

(a) Computation time