mp-26416/LiVP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12230.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16387.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12230.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211929.png

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

Summary

../../_images/fig_times20745.png

(a) Computation time