mp-29213/Cd2Ge7O16/harm

Harmonic properties

../../_images/fig_bandos_pr11444.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15435.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11444.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211160.png

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

Summary

../../_images/fig_times19507.png

(a) Computation time