mp-755646/LiCuO/harm

Equation of state

../../_images/fig_bm1666.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3452.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4598.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3452.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23270.png

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

Summary

../../_images/fig_times5993.png

(a) Computation time