mp-557244/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr8398.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11805.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8398.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28160.png

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

Summary

../../_images/fig_times14747.png

(a) Computation time