mp-757450-2/Sc2Ge2O7/harm

Harmonic properties

../../_images/fig_bandos_pr3160.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4142.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3160.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22979.png

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

Summary

../../_images/fig_times5463.png

(a) Computation time