mp-640614-2/In2SiAg2Se6/harm

Harmonic properties

../../_images/fig_bandos_pr5709.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8216.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5709.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25506.png

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

Summary

../../_images/fig_times10324.png

(a) Computation time