mp-2168-2/SnSe/harm

Equation of state

../../_images/fig_bm6762.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13534.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17897.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13534.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213166.png

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

Summary

../../_images/fig_times22771.png

(a) Computation time