mp-556454/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr8532.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11991.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8532.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28293.png

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

Summary

../../_images/fig_times14973.png

(a) Computation time