mp-862998-2/Si2O5/harm

Equation of state

../../_images/fig_bm541.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1503.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1400.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1503.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21352.png

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

Summary

../../_images/fig_times2241.png

(a) Computation time