mp-697666/H6SN2O4/harm

Harmonic properties

../../_images/fig_bandos_pr4693.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6510.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4693.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24504.png

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

Summary

../../_images/fig_times8314.png

(a) Computation time