mp-1223888/InAgSnSe4/harm

Harmonic properties

../../_images/fig_bandos_pr15042.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19387.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15041.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214658.png

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

Summary

../../_images/fig_times24892.png

(a) Computation time