mp-759453/Li3V3P8O29/harm

Harmonic properties

../../_images/fig_bandos_pr3060.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3950.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3060.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22880.png

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

Summary

../../_images/fig_times5255.png

(a) Computation time