mp-14039/K2NaRhF6/harm

Harmonic properties

../../_images/fig_bandos_pr14675.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19057.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14675.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214294.png

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

Summary

../../_images/fig_times24409.png

(a) Computation time