mp-26896/LiVP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12241.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16411.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12241.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211940.png

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

Summary

../../_images/fig_times20769.png

(a) Computation time