mp-27843/Zn2Ge3O8/harm

Harmonic properties

../../_images/fig_bandos_pr11930.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15969.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11930.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211635.png

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

Summary

../../_images/fig_times20233.png

(a) Computation time