mp-754365/Li2Cr2O7/harm

Harmonic properties

../../_images/fig_bandos_pr3851.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5104.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3851.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23665.png

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

Summary

../../_images/fig_times6657.png

(a) Computation time