mp-12180/NaS2/harm

Equation of state

../../_images/fig_bm7601.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15566.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19977.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15565.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215161.png

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

Summary

../../_images/fig_times25724.png

(a) Computation time