mp-756355/Li3V4CuO12/harm

Equation of state

../../_images/fig_bm1534.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3289.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4347.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3289.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23108.png

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

Summary

../../_images/fig_times5692.png

(a) Computation time