mp-722865/H8Se2N2O5/harm

Harmonic properties

../../_images/fig_bandos_pr4169.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4169.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23982.png

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

Summary

../../_images/fig_times7326.png

(a) Computation time