mp-223/GeO2/harm

Harmonic properties

../../_images/fig_bandos_pr338.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos328.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo338.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2281.png

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

Summary

../../_images/fig_times543.png

(a) Computation time