mp-757151-2/Li2VF7/harm

Harmonic properties

../../_images/fig_bandos_pr3126.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4083.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3126.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22945.png

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

Summary

../../_images/fig_times5401.png

(a) Computation time