mp-765596/LiV2O5F/harm

Harmonic properties

../../_images/fig_bandos_pr2990.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3795.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2990.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22810.png

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

Summary

../../_images/fig_times5091.png

(a) Computation time