mp-1111145/K3CoF6/harm

Harmonic properties

../../_images/fig_bandos_pr16343.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20776.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16342.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215933.png

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

Summary

../../_images/fig_times26843.png

(a) Computation time