mp-756042-2/VO2F/harm

Harmonic properties

../../_images/fig_bandos_pr3519.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3519.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23337.png

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

Summary

../../_images/fig_times6123.png

(a) Computation time