mp-8537/SO2F2/harm

Harmonic properties

../../_images/fig_bandos_pr1837.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1862.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1837.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21660.png

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

Summary

../../_images/fig_times2814.png

(a) Computation time