mp-863360-2/Li3V3P8O29/harm

Equation of state

../../_images/fig_bm549.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1516.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1417.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1516.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21363.png

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

Summary

../../_images/fig_times2262.png

(a) Computation time