mp-8537-2/SO2F2/harm

Equation of state

../../_images/fig_bm740.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1838.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1863.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1838.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21661.png

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

Summary

../../_images/fig_times2815.png

(a) Computation time