mp-733-2/GeO2/harm

Harmonic properties

../../_images/fig_bandos_pr446.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos409.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo446.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2372.png

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

Summary

../../_images/fig_times685.png

(a) Computation time