mp-554682/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr9052.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12761.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9052.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28814.png

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

Summary

../../_images/fig_times15845.png

(a) Computation time