mp-604717/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr6267.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9131.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6267.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26057.png

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

Summary

../../_images/fig_times11377.png

(a) Computation time