mp-766600/Li4TiS4/harm

Harmonic properties

../../_images/fig_bandos_pr2778.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3421.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2778.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22599.png

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

Summary

../../_images/fig_times4663.png

(a) Computation time