mp-773039/Li2Ti6Zn3O16/harm

Harmonic properties

../../_images/fig_bandos_pr2337.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2702.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2337.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22158.png

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

Summary

../../_images/fig_times3836.png

(a) Computation time