mp-768982/Li7NbS6/harm

Harmonic properties

../../_images/fig_bandos_pr2623.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3181.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2623.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22444.png

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

Summary

../../_images/fig_times4372.png

(a) Computation time