mp-540818-2/Tl2Ge2Se5/harm

Equation of state

../../_images/fig_bm4851.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9726.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13604.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9726.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29485.png

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

Summary

../../_images/fig_times16919.png

(a) Computation time