mp-11684/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr16445.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20859.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16444.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216025.png

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

Summary

../../_images/fig_times26946.png

(a) Computation time