mp-756967/Li2CrO4/harm

Equation of state

../../_images/fig_bm1617.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3384.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4511.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3384.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23203.png

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

Summary

../../_images/fig_times5880.png

(a) Computation time