mp-13546/Y2Ge2O7/harm

Equation of state

../../_images/fig_bm7461.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14895.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19260.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14895.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214512.png

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

Summary

../../_images/fig_times24703.png

(a) Computation time