mp-759849/Li2Ti6Zn3O16/harm

Equation of state

../../_images/fig_bm1378.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3098.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4016.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3098.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22918.png

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

Summary

../../_images/fig_times5327.png

(a) Computation time