mp-27367-2/SeOF2/harm

Equation of state

../../_images/fig_bm5898.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12054.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16126.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12054.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211756.png

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

Summary

../../_images/fig_times20433.png

(a) Computation time