mp-778661/LiCu5P2O8/harm

Harmonic properties

../../_images/fig_bandos_pr2170.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2250.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2170.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21991.png

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

Summary

../../_images/fig_times3352.png

(a) Computation time