mp-756007/Li3Cu3P2O8/harm

Equation of state

../../_images/fig_bm1717.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3513.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4696.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3513.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23331.png

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

Summary

../../_images/fig_times6111.png

(a) Computation time