mp-760676/LiCu2PO4/harm

Harmonic properties

../../_images/fig_bandos_pr2923.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3651.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2923.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22743.png

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

Summary

../../_images/fig_times4938.png

(a) Computation time