mp-867699/Li4TiS4/harm

Harmonic properties

../../_images/fig_bandos_pr1331.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1257.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1331.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21187.png

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

Summary

../../_images/fig_times2004.png

(a) Computation time