mp-1019564/Ca6Ge2O/harm

Harmonic properties

../../_images/fig_bandos_pr60.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos63.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo60.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc259.png

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

Summary

../../_images/fig_times101.png

(a) Computation time