mp-779046/Li5CuP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr2189.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2277.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2189.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22010.png

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

Summary

../../_images/fig_times3383.png

(a) Computation time