mp-28474/S7N6O8/harm

Harmonic properties

../../_images/fig_bandos_pr11860.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15885.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11860.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211571.png

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

Summary

../../_images/fig_times20123.png

(a) Computation time