mp-27047/Li2CuPO4/harm

Harmonic properties

../../_images/fig_bandos_pr12253.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo12253.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc211952.png

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

Summary

../../_images/fig_times20781.png

(a) Computation time