mp-559928-2/SiO2/harm

Equation of state

../../_images/fig_bm3995.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7708.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10824.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7708.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27471.png

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

Summary

../../_images/fig_times13614.png

(a) Computation time