mp-554267-2/SiO2/harm

Equation of state

../../_images/fig_bm4519.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8957.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12634.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8957.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28718.png

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

Summary

../../_images/fig_times15699.png

(a) Computation time