mp-12787-2/SiO2/harm

Equation of state

../../_images/fig_bm7661.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15694.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20064.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15693.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215289.png

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

Summary

../../_images/fig_times25875.png

(a) Computation time