mp-1079321/ErAgS2/harm

Harmonic properties

../../_images/fig_bandos_pr16926.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21236.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16925.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216479.png

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

Summary

../../_images/fig_times27599.png

(a) Computation time