mp-1819-2/SbO2/harm

Equation of state

../../_images/fig_bm52.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr224.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos240.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo224.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2202.png

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

Summary

../../_images/fig_times370.png

(a) Computation time