mp-831255-2/Li3V3P8O29/harm

Equation of state

../../_images/fig_bm636.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1692.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1634.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1692.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21525.png

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

Summary

../../_images/fig_times2536.png

(a) Computation time