mp-5368-2/Li2GeF6/harm

Equation of state

../../_images/fig_bm4964.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9951.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13877.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9951.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29704.png

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

Summary

../../_images/fig_times17289.png

(a) Computation time