mp-554129/Br3NO4F10/harm

Harmonic properties

../../_images/fig_bandos_pr8917.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12571.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8917.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28678.png

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

Summary

../../_images/fig_times15631.png

(a) Computation time