mp-1111440/K2RbIrF6/harm

Harmonic properties

../../_images/fig_bandos_pr16371.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20805.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16370.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215961.png

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

Summary

../../_images/fig_times26872.png

(a) Computation time