mp-3785-2/TlGaTe2/harm

Equation of state

../../_images/fig_bm5278.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10636.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14563.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10636.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210370.png

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

Summary

../../_images/fig_times18271.png

(a) Computation time