mp-989527/Cs2NaNF6/harm

Harmonic properties

../../_images/fig_bandos_pr802.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos711.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo802.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2702.png

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

Summary

../../_images/fig_times1205.png

(a) Computation time