mp-1182477/AsNO2F6/harm

Harmonic properties

../../_images/fig_bandos_pr16152.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20580.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16151.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215747.png

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

Summary

../../_images/fig_times26563.png

(a) Computation time