mp-726294/Li2V2P2O11/harm

Harmonic properties

../../_images/fig_bandos_pr4202.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5773.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4202.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24015.png

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

Summary

../../_images/fig_times7402.png

(a) Computation time