mp-721268/H6SN2O4/harm

Harmonic properties

../../_images/fig_bandos_pr4133.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5609.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4133.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23946.png

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

Summary

../../_images/fig_times7229.png

(a) Computation time