mp-1181462/DyAgSe2/harm

Harmonic properties

../../_images/fig_bandos_pr16145.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20571.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16144.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215740.png

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

Summary

../../_images/fig_times26549.png

(a) Computation time