mp-555211-2/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr8880.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12512.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8880.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28641.png

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

Summary

../../_images/fig_times15566.png

(a) Computation time