mp-13650-2/Ca2GeO4/harm

Harmonic properties

../../_images/fig_bandos_pr14922.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19284.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14922.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214539.png

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

Summary

../../_images/fig_times24737.png

(a) Computation time