mp-1080271/Cs2Se/harm

Harmonic properties

../../_images/fig_bandos_pr16979.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21285.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16978.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216531.png

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

Summary

../../_images/fig_times27670.png

(a) Computation time