mp-16992-2/NaAg3S2/harm

Equation of state

../../_images/fig_bm7087.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14149.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18542.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14149.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213777.png

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

Summary

../../_images/fig_times23660.png

(a) Computation time