mp-756355-2/Li3V4CuO12/harm

Harmonic properties

../../_images/fig_bandos_pr3290.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4348.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3290.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23109.png

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

Summary

../../_images/fig_times5693.png

(a) Computation time