mp-14708-2/Tm2Ge2O7/harm

Equation of state

../../_images/fig_bm7262.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14517.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18874.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14517.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214136.png

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

Summary

../../_images/fig_times24170.png

(a) Computation time