mp-752971/Li4VO4F/harm

Harmonic properties

../../_images/fig_bandos_pr3971.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5283.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3971.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23784.png

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

Summary

../../_images/fig_times6875.png

(a) Computation time