mp-558891/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr8112.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11412.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8112.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27874.png

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

Summary

../../_images/fig_times14293.png

(a) Computation time