mp-24157-2/PH8N2O3F/harm

Harmonic properties

../../_images/fig_bandos_pr12355.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16573.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12355.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212054.png

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

Summary

../../_images/fig_times20961.png

(a) Computation time