mp-756174/Li2V2SiGeO10/harm

Equation of state

../../_images/fig_bm1516.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3254.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4310.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3254.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23073.png

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

Summary

../../_images/fig_times5641.png

(a) Computation time