mp-764607-2/LiVTe3O12/harm

Equation of state

../../_images/fig_bm1282.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2982.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3770.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2982.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22802.png

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

Summary

../../_images/fig_times5065.png

(a) Computation time