mp-600041/SiO2/harm

Harmonic properties

../../_images/fig_bandos_pr6553.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9429.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6553.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26343.png

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

Summary

../../_images/fig_times11777.png

(a) Computation time