mp-559273/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr7894.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11082.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7894.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27656.png

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

Summary

../../_images/fig_times13910.png

(a) Computation time