mp-600045-2/SiO2/harm

Equation of state

../../_images/fig_bm3489.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6556.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9432.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6556.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26346.png

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

Summary

../../_images/fig_times11780.png

(a) Computation time