mp-12307/Tl2Ge2S5/harm

Harmonic properties

../../_images/fig_bandos_pr15598.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20007.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15597.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215193.png

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

Summary

../../_images/fig_times25762.png

(a) Computation time