mp-983327/KH4O2F/harm

Harmonic properties

../../_images/fig_bandos_pr1080.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1013.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1080.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2948.png

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

Summary

../../_images/fig_times1625.png

(a) Computation time