mp-13650/Ca2GeO4/harm

Equation of state

../../_images/fig_bm7476.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14921.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19283.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14921.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214538.png

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

Summary

../../_images/fig_times24736.png

(a) Computation time