mp-21459/InAgS2/harm

Equation of state

../../_images/fig_bm6658.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13331.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13331.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212971.png

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

Summary

../../_images/fig_times22466.png

(a) Computation time