mp-600037-2/SiO2/harm

Equation of state

../../_images/fig_bm3485.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6550.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9425.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6550.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26340.png

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

Summary

../../_images/fig_times11773.png

(a) Computation time