mp-17193-2/Ca3GeO/harm

Harmonic properties

../../_images/fig_bandos_pr14214.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18612.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14214.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213842.png

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

Summary

../../_images/fig_times23758.png

(a) Computation time