mp-1111856/K3RhF6/harm

Harmonic properties

../../_images/fig_bandos_pr16377.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20811.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16376.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215967.png

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

Summary

../../_images/fig_times26878.png

(a) Computation time