mp-773145/Li2Cr4O13/harm

Harmonic properties

../../_images/fig_bandos_pr2358.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2733.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2358.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22179.png

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

Summary

../../_images/fig_times3868.png

(a) Computation time