mp-773145-2/Li2Cr4O13/harm

Equation of state

../../_images/fig_bm1145.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2359.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2734.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2359.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22180.png

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

Summary

../../_images/fig_times3869.png

(a) Computation time