mp-703393/PH8SN3O/harm

Equation of state

../../_images/fig_bm2215.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4424.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6179.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4424.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24237.png

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

Summary

../../_images/fig_times7866.png

(a) Computation time