mp-757594/OsO2F4/harm

Equation of state

../../_images/fig_bm1448.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3167.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4166.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3167.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22986.png

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

Summary

../../_images/fig_times5487.png

(a) Computation time