mp-600033-2/SiO2/harm

Equation of state

../../_images/fig_bm3484.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6548.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9423.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6548.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26338.png

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

Summary

../../_images/fig_times11771.png

(a) Computation time