mp-25975/LiCuP2O6/harm

Harmonic properties

../../_images/fig_bandos_pr12223.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16373.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12223.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211922.png

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

Summary

../../_images/fig_times20731.png

(a) Computation time