mp-223-2/GeO2/harm

Equation of state

../../_images/fig_bm85.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr339.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos329.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo339.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2282.png

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

Summary

../../_images/fig_times544.png

(a) Computation time