mp-5725-2/CuAg3S2/harm

Equation of state

../../_images/fig_bm5027.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10049.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13981.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10049.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29802.png

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

Summary

../../_images/fig_times17431.png

(a) Computation time