mp-7029/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr4776.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6654.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4776.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24587.png

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

Summary

../../_images/fig_times8476.png

(a) Computation time