mp-774334-2/Na5Li3V8O24/harm

Equation of state

../../_images/fig_bm1172.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2394.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2795.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2394.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22215.png

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

Summary

../../_images/fig_times3932.png

(a) Computation time