mp-755821/Li5CuP2O8/harm

Equation of state

../../_images/fig_bm1698.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3489.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4658.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3489.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23307.png

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

Summary

../../_images/fig_times6063.png

(a) Computation time