mp-752753/SbO2F/harm

Equation of state

../../_images/fig_bm1935.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3947.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5251.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3947.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23760.png

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

Summary

../../_images/fig_times6838.png

(a) Computation time