mp-611316/AsNO2F6/harm

Harmonic properties

../../_images/fig_bandos_pr5991.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8823.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5991.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25785.png

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

Summary

../../_images/fig_times10976.png

(a) Computation time