mp-779241-2/LiCu5P2O8/harm

Equation of state

../../_images/fig_bm964.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2195.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2296.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2195.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22016.png

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

Summary

../../_images/fig_times3402.png

(a) Computation time