mp-1223900/InAgSeS/harm

Harmonic properties

../../_images/fig_bandos_pr15044.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19389.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15043.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214660.png

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

Summary

../../_images/fig_times24894.png

(a) Computation time