mp-769059/Li3NbS4/harm

Harmonic properties

../../_images/fig_bandos_pr2637.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3202.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2637.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22458.png

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

Summary

../../_images/fig_times4398.png

(a) Computation time