mp-12307-2/Tl2Ge2S5/harm

Equation of state

../../_images/fig_bm7619.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15599.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20008.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15598.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215194.png

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

Summary

../../_images/fig_times25763.png

(a) Computation time