mp-753179/Li2CuPO4/harm

Harmonic properties

../../_images/fig_bandos_pr3983.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5302.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3983.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23796.png

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

Summary

../../_images/fig_times6899.png

(a) Computation time