mp-20893-2/GeO2/harm

Harmonic properties

../../_images/fig_bandos_pr13512.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17874.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13512.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213147.png

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

Summary

../../_images/fig_times22730.png

(a) Computation time