mp-1019566/Ca3ZnGe5O14/harm

Harmonic properties

../../_images/fig_bandos_pr61.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos64.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo61.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc260.png

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

Summary

../../_images/fig_times102.png

(a) Computation time