mp-642706/H4SN2O2/harm

Harmonic properties

../../_images/fig_bandos_pr5435.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7842.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5435.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25240.png

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

Summary

../../_images/fig_times9849.png

(a) Computation time