mp-1179443/SiSe2/harm

Harmonic properties

../../_images/fig_bandos_pr16125.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20549.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16124.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215720.png

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

Summary

../../_images/fig_times26517.png

(a) Computation time