mp-12180-2/NaS2/harm

Harmonic properties

../../_images/fig_bandos_pr15567.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19978.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15566.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215162.png

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

Summary

../../_images/fig_times25725.png

(a) Computation time