mp-755445-2/Li2CuPO4/harm

Harmonic properties

../../_images/fig_bandos_pr3402.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4534.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3402.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23221.png

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

Summary

../../_images/fig_times5907.png

(a) Computation time