mp-12240/Na2LiBe2F7/harm

Equation of state

../../_images/fig_bm7608.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15580.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19989.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15579.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215175.png

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

Summary

../../_images/fig_times25740.png

(a) Computation time