mp-2392-2/Th2Se5/harm

Harmonic properties

../../_images/fig_bandos_pr13196.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17591.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13196.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212852.png

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

Summary

../../_images/fig_times22282.png

(a) Computation time