mp-555251/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr8886.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12526.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8886.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28647.png

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

Summary

../../_images/fig_times15580.png

(a) Computation time