mp-759856/WO2F2/harm

Harmonic properties

../../_images/fig_bandos_pr3099.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4017.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3099.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22919.png

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

Summary

../../_images/fig_times5328.png

(a) Computation time