mp-27576-2/Sc2GeO5/harm

Equation of state

../../_images/fig_bm5960.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12148.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16252.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12148.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211849.png

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

Summary

../../_images/fig_times20584.png

(a) Computation time