mp-1224210/InCuGeSe4/harm

Harmonic properties

../../_images/fig_bandos_pr15049.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19401.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214665.png

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

Summary

../../_images/fig_times24906.png

(a) Computation time