mp-850378/H11S2N3O7/harm

Harmonic properties

../../_images/fig_bandos_pr1721.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1713.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1721.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21553.png

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

Summary

../../_images/fig_times2617.png

(a) Computation time